N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine

C17H27NO — CID 79366850

IUPACN-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCCCCC(C)NC1CCc2ccc(OC)cc21
InChIInChI=1S/C17H27NO/c1-4-5-6-7-13(2)18-17-11-9-14-8-10-15(19-3)12-16(14)17/h8,10,12-13,17-18H,4-7,9,11H2,1-3H3
InChIKeyUCXABZHKTYWQQW-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.24
Rot. Bonds7

About N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79366850) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79366850
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCCCCC(C)NC1CCc2ccc(OC)cc21
InChIInChI=1S/C17H27NO/c1-4-5-6-7-13(2)18-17-11-9-14-8-10-15(19-3)12-16(14)17/h8,10,12-13,17-18H,4-7,9,11H2,1-3H3
InChIKeyUCXABZHKTYWQQW-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79725171
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79366850) is N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCCCCC(C)NC1CCc2ccc(OC)cc21.
What is the InChIKey of N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UCXABZHKTYWQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-7-13(2)18-17-11-9-14-8-10-15(19-3)12-16(14)17/h8,10,12-13,17-18H,4-7,9,11H2,1-3H3.
What are the key properties of N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79366850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).