6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine

C15H21NO — CID 115890286

IUPAC6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCC(C)NC1CCc2ccc(OC)cc21
InChIInChI=1S/C15H21NO/c1-4-5-11(2)16-15-9-7-12-6-8-13(17-3)10-14(12)15/h4,6,8,10-11,15-16H,1,5,7,9H2,2-3H3
InChIKeyLBMOILXASMYQOW-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds5

About 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 115890286) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID115890286
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCC(C)NC1CCc2ccc(OC)cc21
InChIInChI=1S/C15H21NO/c1-4-5-11(2)16-15-9-7-12-6-8-13(17-3)10-14(12)15/h4,6,8,10-11,15-16H,1,5,7,9H2,2-3H3
InChIKeyLBMOILXASMYQOW-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
(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
N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366850
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967
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
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901315
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369338
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 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine (CID 115890286) is 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine is C=CCC(C)NC1CCc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LBMOILXASMYQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-5-11(2)16-15-9-7-12-6-8-13(17-3)10-14(12)15/h4,6,8,10-11,15-16H,1,5,7,9H2,2-3H3.
What are the key properties of 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115890286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).