1-hept-6-enyl-2,3-dihydroindol-7-amine

C15H22N2 — CID 107008081

IUPAC1-hept-6-enyl-2,3-dihydroindol-7-amine
SMILESC=CCCCCCN1CCc2cccc(N)c21
InChIInChI=1S/C15H22N2/c1-2-3-4-5-6-11-17-12-10-13-8-7-9-14(16)15(13)17/h2,7-9H,1,3-6,10-12,16H2
InChIKeyBAXSLYRSFMDHNK-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.38
Rot. Bonds6

About 1-hept-6-enyl-2,3-dihydroindol-7-amine

1-hept-6-enyl-2,3-dihydroindol-7-amine (PubChem CID 107008081) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-hept-6-enyl-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-hept-6-enyl-2,3-dihydroindol-7-amine
PubChem CID107008081
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-hept-6-enyl-2,3-dihydroindol-7-amine
SMILESC=CCCCCCN1CCc2cccc(N)c21
InChIInChI=1S/C15H22N2/c1-2-3-4-5-6-11-17-12-10-13-8-7-9-14(16)15(13)17/h2,7-9H,1,3-6,10-12,16H2
InChIKeyBAXSLYRSFMDHNK-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
CID 114456562
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
CID 114930849

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-2,3-dihydroindol-7-amine?
The IUPAC name of 1-hept-6-enyl-2,3-dihydroindol-7-amine (CID 107008081) is 1-hept-6-enyl-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-hept-6-enyl-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-hept-6-enyl-2,3-dihydroindol-7-amine is C=CCCCCCN1CCc2cccc(N)c21.
What is the InChIKey of 1-hept-6-enyl-2,3-dihydroindol-7-amine?
The InChIKey is BAXSLYRSFMDHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-3-4-5-6-11-17-12-10-13-8-7-9-14(16)15(13)17/h2,7-9H,1,3-6,10-12,16H2.
What are the key properties of 1-hept-6-enyl-2,3-dihydroindol-7-amine?
1-hept-6-enyl-2,3-dihydroindol-7-amine has a molecular weight of 230.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-2,3-dihydroindol-7-amine is sourced from PubChem (CID 107008081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).