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

C15H29ClN2O — CID 119262416

IUPACN,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCCCN(CCC)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-9-17(10-4-2)15(18)14-11-12-7-5-6-8-13(12)16-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyHVUPWMKLMDQFSS-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.98
Rot. Bonds5

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

N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119262416) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119262416
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC NameN,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCCCN(CCC)C(=O)C1CC2CCCCC2N1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-9-17(10-4-2)15(18)14-11-12-7-5-6-8-13(12)16-14;/h12-14,16H,3-11H2,1-2H3;1H
InChIKeyHVUPWMKLMDQFSS-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dipropyl-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-ethyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280649
N,N-dibutyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43125964
N-(2-amino-2-oxoethyl)-N-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60947996
N-ethyl-N-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54949278
N-ethyl-N-(2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119342203
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60980755
2-[2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl(2-methoxyethyl)amino]acetic acid
CID 79270937
N-(2-methoxyethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280509
N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304301
N-cyclopropyl-N-(2-hydroxyethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579594
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60963195
N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119344581

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119262416) is N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is CCCN(CCC)C(=O)C1CC2CCCCC2N1.Cl.
What is the InChIKey of N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is HVUPWMKLMDQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-3-9-17(10-4-2)15(18)14-11-12-7-5-6-8-13(12)16-14;/h12-14,16H,3-11H2,1-2H3;1H.
What are the key properties of N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119262416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).