N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C17H31ClN2O — CID 119328117

IUPACN-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESC=CCCCCCN(C)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-3-4-5-6-9-12-19(2)17(20)16-13-14-10-7-8-11-15(14)18-16;/h3,14-16,18H,1,4-13H2,2H3;1H
InChIKeyCFRURLOBHIZKDX-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.53
Rot. Bonds7

About N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119328117) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119328117
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC NameN-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESC=CCCCCCN(C)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-3-4-5-6-9-12-19(2)17(20)16-13-14-10-7-8-11-15(14)18-16;/h3,14-16,18H,1,4-13H2,2H3;1H
InChIKeyCFRURLOBHIZKDX-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280509
N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 77158348
N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262416
N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43125964
N-methyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281282
N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579594
N-ethyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280649
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide
CID 129178537
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119855579
N-methyl-N-(oxolan-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119341289
3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119328117) is N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is C=CCCCCCN(C)C(=O)C1CC2CCCCC2N1.Cl.
What is the InChIKey of N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is CFRURLOBHIZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-3-4-5-6-9-12-19(2)17(20)16-13-14-10-7-8-11-15(14)18-16;/h3,14-16,18H,1,4-13H2,2H3;1H.
What are the key properties of N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119328117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).