N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide

C19H27N3O — CID 84613024

IUPACN-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
SMILESCn1cc(C2CCC(C(=O)NCCCN)CC2)c2ccccc21
InChIInChI=1S/C19H27N3O/c1-22-13-17(16-5-2-3-6-18(16)22)14-7-9-15(10-8-14)19(23)21-12-4-11-20/h2-3,5-6,13-15H,4,7-12,20H2,1H3,(H,21,23)
InChIKeyWUHZSPHPKFHTOP-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.92
Rot. Bonds5

About N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide

N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide (PubChem CID 84613024) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
PubChem CID84613024
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
SMILESCn1cc(C2CCC(C(=O)NCCCN)CC2)c2ccccc21
InChIInChI=1S/C19H27N3O/c1-22-13-17(16-5-2-3-6-18(16)22)14-7-9-15(10-8-14)19(23)21-12-4-11-20/h2-3,5-6,13-15H,4,7-12,20H2,1H3,(H,21,23)
InChIKeyWUHZSPHPKFHTOP-UHFFFAOYSA-N
XLogP2.92
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide 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-aminoethyl)-4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
CID 84613189
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
4-(1-propylindol-3-yl)cyclohexane-1-carboxamide
CID 84613190
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
N-[4-[4-(1-methylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 10280183
4-(aminomethyl)-N-(3-aminopropyl)cyclohexane-1-carboxamide
CID 79527493
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
1-(4-aminobutyl)-N-[1-[2-(cyclopropanecarbonylamino)ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969581
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide (CID 84613024) is N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide is Cn1cc(C2CCC(C(=O)NCCCN)CC2)c2ccccc21.
What is the InChIKey of N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is WUHZSPHPKFHTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-22-13-17(16-5-2-3-6-18(16)22)14-7-9-15(10-8-14)19(23)21-12-4-11-20/h2-3,5-6,13-15H,4,7-12,20H2,1H3,(H,21,23).
What are the key properties of N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide?
N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 84613024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).