2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene

C157H223N5O — CID 159517938

IUPAC2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC1=CCc2ccccc21.CCC1=Cc2ccccc2C1.CCCCC1=CCc2ccccc21.CCCCC1=Cc2ccccc2C1.CCCCCC1=Cc2ccccc2C1.CCN(C)CCC1=CCc2ccccc21.CCNCCC1=CCc2cc(OC)ccc21.CCNCCC1=CCc2ccccc21.CCc1ccc2c(c1)C=CC2.CCc1ccc2c(c1)CC=C2.CCc1cccc2[nH]ccc12.CCc1cccc2cc[nH]c12
InChIInChI=1S/C14H19NO.C14H19N.C14H18.C13H17N.2C13H16.4C11H12.2C10H11N.12CH4/c1-3-15-9-8-11-4-5-12-10-13(16-2)6-7-14(11)12;1-3-15(2)11-10-13-9-8-12-6-4-5-7-14(12)13;1-2-3-4-7-12-10-13-8-5-6-9-14(13)11-12;1-2-14-10-9-12-8-7-11-5-3-4-6-13(11)12;1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;2*1-2-9-6-7-10-4-3-5-11(10)8-9;1-2-9-7-10-5-3-4-6-11(10)8-9;1-2-9-7-8-10-5-3-4-6-11(9)10;1-2-8-4-3-5-10-9(8)6-7-11-10;1-2-8-4-3-5-9-6-7-11-10(8)9;;;;;;;;;;;;/h4,6-7,10,15H,3,5,8-9H2,1-2H3;4-7,9H,3,8,10-11H2,1-2H3;5-6,8-10H,2-4,7,11H2,1H3;3-6,8,14H,2,7,9-10H2,1H3;2*4-5,7-9H,2-3,6,10H2,1H3;3,5-8H,2,4H2,1H3;3-4,6-8H,2,5H2,1H3;2*3-7H,2,8H2,1H3;2*3-7,11H,2H2,1H3;12*1H4
InChIKeyMBLCGHZICDEGGM-UHFFFAOYSA-N
MW2196.54 g/mol
LogP44.87
Rot. Bonds29

About 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene

2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene (PubChem CID 159517938) has the molecular formula C157H223N5O and a molecular weight of 2196.54 g/mol. Its IUPAC name is 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene.

Molecular Properties

Compound Name2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene
PubChem CID159517938
Molecular FormulaC157H223N5O
Molecular Weight2196.54 g/mol
Exact Mass2194.76
IUPAC Name2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC1=CCc2ccccc21.CCC1=Cc2ccccc2C1.CCCCC1=CCc2ccccc21.CCCCC1=Cc2ccccc2C1.CCCCCC1=Cc2ccccc2C1.CCN(C)CCC1=CCc2ccccc21.CCNCCC1=CCc2cc(OC)ccc21.CCNCCC1=CCc2ccccc21.CCc1ccc2c(c1)C=CC2.CCc1ccc2c(c1)CC=C2.CCc1cccc2[nH]ccc12.CCc1cccc2cc[nH]c12
InChIInChI=1S/C14H19NO.C14H19N.C14H18.C13H17N.2C13H16.4C11H12.2C10H11N.12CH4/c1-3-15-9-8-11-4-5-12-10-13(16-2)6-7-14(11)12;1-3-15(2)11-10-13-9-8-12-6-4-5-7-14(12)13;1-2-3-4-7-12-10-13-8-5-6-9-14(13)11-12;1-2-14-10-9-12-8-7-11-5-3-4-6-13(11)12;1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;2*1-2-9-6-7-10-4-3-5-11(10)8-9;1-2-9-7-10-5-3-4-6-11(10)8-9;1-2-9-7-8-10-5-3-4-6-11(9)10;1-2-8-4-3-5-10-9(8)6-7-11-10;1-2-8-4-3-5-9-6-7-11-10(8)9;;;;;;;;;;;;/h4,6-7,10,15H,3,5,8-9H2,1-2H3;4-7,9H,3,8,10-11H2,1-2H3;5-6,8-10H,2-4,7,11H2,1H3;3-6,8,14H,2,7,9-10H2,1H3;2*4-5,7-9H,2-3,6,10H2,1H3;3,5-8H,2,4H2,1H3;3-4,6-8H,2,5H2,1H3;2*3-7H,2,8H2,1H3;2*3-7,11H,2H2,1H3;12*1H4
InChIKeyMBLCGHZICDEGGM-UHFFFAOYSA-N
XLogP44.87
TPSA68.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002196.54
LogP ≤ 544.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene with MolForge

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Launch Full Analysis

Related Compounds

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Ditercalinium
CID 3119
2-(5-{3-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
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2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine
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1H-Indole, 3,3'-methylenebis[5-methoxy-
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9-Methoxy-N(2)-methylellipticinium
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2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole
CID 44396409
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
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5-(3-(3-methoxybenzyl)pyrrolidin-3-yl)-1H-indole
CID 44230734

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene?
The IUPAC name of 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene (CID 159517938) is 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene.
What is the SMILES notation for 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene?
The canonical SMILES for 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene is C.C.C.C.C.C.C.C.C.C.C.C.CCC1=CCc2ccccc21.CCC1=Cc2ccccc2C1.CCCCC1=CCc2ccccc21.CCCCC1=Cc2ccccc2C1.CCCCCC1=Cc2ccccc2C1.CCN(C)CCC1=CCc2ccccc21.CCNCCC1=CCc2cc(OC)ccc21.CCNCCC1=CCc2ccccc21.CCc1ccc2c(c1)C=CC2.CCc1ccc2c(c1)CC=C2.CCc1cccc2[nH]ccc12.CCc1cccc2cc[nH]c12.
What is the InChIKey of 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene?
The InChIKey is MBLCGHZICDEGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C14H19N.C14H18.C13H17N.2C13H16.4C11H12.2C10H11N.12CH4/c1-3-15-9-8-11-4-5-12-10-13(16-2)6-7-14(11)12;1-3-15(2)11-10-13-9-8-12-6-4-5-7-14(12)13;1-2-3-4-7-12-10-13-8-5-6-9-14(13)11-12;1-2-14-10-9-12-8-7-11-5-3-4-6-13(11)12;1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;2*1-2-9-6-7-10-4-3-5-11(10)8-9;1-2-9-7-10-5-3-4-6-11(10)8-9;1-2-9-7-8-10-5-3-4-6-11(9)10;1-2-8-4-3-5-10-9(8)6-7-11-10;1-2-8-4-3-5-9-6-7-11-10(8)9;;;;;;;;;;;;/h4,6-7,10,15H,3,5,8-9H2,1-2H3;4-7,9H,3,8,10-11H2,1-2H3;5-6,8-10H,2-4,7,11H2,1H3;3-6,8,14H,2,7,9-10H2,1H3;2*4-5,7-9H,2-3,6,10H2,1H3;3,5-8H,2,4H2,1H3;3-4,6-8H,2,5H2,1H3;2*3-7H,2,8H2,1H3;2*3-7,11H,2H2,1H3;12*1H4.
What are the key properties of 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene?
2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene has a molecular weight of 2196.54 g/mol, XLogP of 44.87, 29 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-indene;3-butyl-1H-indene;2-ethyl-1H-indene;3-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;N-ethyl-2-(3H-inden-1-yl)ethanamine;N-ethyl-2-(3H-inden-1-yl)-N-methylethanamine;4-ethyl-1H-indole;7-ethyl-1H-indole;N-ethyl-2-(5-methoxy-3H-inden-1-yl)ethanamine;methane;2-pentyl-1H-indene is sourced from PubChem (CID 159517938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).