N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine

C25H39N3 — CID 142579659

IUPACN'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine
SMILESNCCCNCCC(c1cn(C2CCCCC2)c2ccccc12)C1CCCC1
InChIInChI=1S/C25H39N3/c26-16-8-17-27-18-15-22(20-9-4-5-10-20)24-19-28(21-11-2-1-3-12-21)25-14-7-6-13-23(24)25/h6-7,13-14,19-22,27H,1-5,8-12,15-18,26H2
InChIKeyBRUGMTJBXSENTG-UHFFFAOYSA-N
MW381.61 g/mol
LogP5.75
Rot. Bonds9

About N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine

N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine (PubChem CID 142579659) has the molecular formula C25H39N3 and a molecular weight of 381.61 g/mol. Its IUPAC name is N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine
PubChem CID142579659
Molecular FormulaC25H39N3
Molecular Weight381.61 g/mol
Exact Mass381.31
IUPAC NameN'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine
SMILESNCCCNCCC(c1cn(C2CCCCC2)c2ccccc12)C1CCCC1
InChIInChI=1S/C25H39N3/c26-16-8-17-27-18-15-22(20-9-4-5-10-20)24-19-28(21-11-2-1-3-12-21)25-14-7-6-13-23(24)25/h6-7,13-14,19-22,27H,1-5,8-12,15-18,26H2
InChIKeyBRUGMTJBXSENTG-UHFFFAOYSA-N
XLogP5.75
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.61
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine 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'-[3-cyclohexyl-3-(1-octylindol-3-yl)propyl]propane-1,3-diamine
CID 142579747
N'-[3-cyclohexyl-3-[1-(3,7-dimethylocta-2,6-dienyl)indol-3-yl]propyl]propane-1,3-diamine
CID 166691469
4-N-[3-cyclohexyl-3-(1-cyclohexyl-5-fluoroindol-3-yl)propyl]cyclohexane-1,4-diamine
CID 158062201
N'-[3-(1-cyclohexyl-5-isocyanoindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,3-diamine
CID 158039799
2-cyclopentyl-2-(1-methylindol-3-yl)ethanamine
CID 10633946
3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine
CID 142579326
N'-[3-[1-cyclohexyl-5-(2-methylphenyl)indol-3-yl]propyl]propane-1,3-diamine;dihydrochloride
CID 159399992
2-(1-cyclopentylindol-3-yl)propan-1-ol
CID 115115568
N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride
CID 162459905
3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 142579537
3-[3-(3-aminopropylamino)-1-[3-(trifluoromethoxy)phenyl]propyl]-1-cyclohexylindole-5-carbonitrile;benzenesulfonic acid
CID 155124139
2-(1-cyclobutylindol-3-yl)propan-1-ol
CID 115115306

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine (CID 142579659) is N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine is NCCCNCCC(c1cn(C2CCCCC2)c2ccccc12)C1CCCC1.
What is the InChIKey of N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine?
The InChIKey is BRUGMTJBXSENTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3/c26-16-8-17-27-18-15-22(20-9-4-5-10-20)24-19-28(21-11-2-1-3-12-21)25-14-7-6-13-23(24)25/h6-7,13-14,19-22,27H,1-5,8-12,15-18,26H2.
What are the key properties of N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine?
N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine has a molecular weight of 381.61 g/mol, XLogP of 5.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine is sourced from PubChem (CID 142579659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).