3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine

C27H38N4 — CID 142579326

IUPAC3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine
SMILESCc1cccc(C(CCNCC(N)CN)c2cn(C3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C27H38N4/c1-20-8-7-9-21(16-20)24(14-15-30-18-22(29)17-28)26-19-31(23-10-3-2-4-11-23)27-13-6-5-12-25(26)27/h5-9,12-13,16,19,22-24,30H,2-4,10-11,14-15,17-18,28-29H2,1H3
InChIKeyNYELBYXRFFNMTC-UHFFFAOYSA-N
MW418.63 g/mol
LogP4.85
Rot. Bonds9

About 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine

3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine (PubChem CID 142579326) has the molecular formula C27H38N4 and a molecular weight of 418.63 g/mol. Its IUPAC name is 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine
PubChem CID142579326
Molecular FormulaC27H38N4
Molecular Weight418.63 g/mol
Exact Mass418.31
IUPAC Name3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine
SMILESCc1cccc(C(CCNCC(N)CN)c2cn(C3CCCCC3)c3ccccc23)c1
InChIInChI=1S/C27H38N4/c1-20-8-7-9-21(16-20)24(14-15-30-18-22(29)17-28)26-19-31(23-10-3-2-4-11-23)27-13-6-5-12-25(26)27/h5-9,12-13,16,19,22-24,30H,2-4,10-11,14-15,17-18,28-29H2,1H3
InChIKeyNYELBYXRFFNMTC-UHFFFAOYSA-N
XLogP4.85
TPSA69.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine 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-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
CID 162459838
N'-[3-(1-cyclohexyl-5-isocyanoindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,3-diamine
CID 158039799
4-[[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]amino]piperidine-1-carboxamide;hydrochloride
CID 162459953
N-(1-acetylpiperidin-4-yl)-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]acetamide
CID 142579457
3-(1-cyclohexylindol-3-yl)-N-propyl-3-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 142579537
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
4-N-[3-(1-cyclohexyl-5-nitroindol-3-yl)-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine;methane
CID 159488727
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
CID 160945637
N'-[3-(1-cyclohexylindol-3-yl)-3-cyclopentylpropyl]propane-1,3-diamine
CID 142579659
1-[3-[1-(2-bicyclo[2.2.1]heptanyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine
CID 162459913
N-[3-(1-cyclohexylindol-3-yl)-4-(3-methylphenyl)butyl]piperidin-4-amine;methane
CID 157117913

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine (CID 142579326) is 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine is Cc1cccc(C(CCNCC(N)CN)c2cn(C3CCCCC3)c3ccccc23)c1.
What is the InChIKey of 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine?
The InChIKey is NYELBYXRFFNMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4/c1-20-8-7-9-21(16-20)24(14-15-30-18-22(29)17-28)26-19-31(23-10-3-2-4-11-23)27-13-6-5-12-25(26)27/h5-9,12-13,16,19,22-24,30H,2-4,10-11,14-15,17-18,28-29H2,1H3.
What are the key properties of 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine?
3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine has a molecular weight of 418.63 g/mol, XLogP of 4.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]propane-1,2,3-triamine is sourced from PubChem (CID 142579326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).