N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine

C30H40N2 — CID 142579745

IUPACN-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
SMILESCc1cccc(C(CCNC2CCCCC2)c2cn(CC3CCCC3)c3ccccc23)c1
InChIInChI=1S/C30H40N2/c1-23-10-9-13-25(20-23)27(18-19-31-26-14-3-2-4-15-26)29-22-32(21-24-11-5-6-12-24)30-17-8-7-16-28(29)30/h7-10,13,16-17,20,22,24,26-27,31H,2-6,11-12,14-15,18-19,21H2,1H3
InChIKeyWZOOZXDMTSRIPG-UHFFFAOYSA-N
MW428.66 g/mol
LogP7.58
Rot. Bonds8

About N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine

N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine (PubChem CID 142579745) has the molecular formula C30H40N2 and a molecular weight of 428.66 g/mol. Its IUPAC name is N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
PubChem CID142579745
Molecular FormulaC30H40N2
Molecular Weight428.66 g/mol
Exact Mass428.32
IUPAC NameN-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
SMILESCc1cccc(C(CCNC2CCCCC2)c2cn(CC3CCCC3)c3ccccc23)c1
InChIInChI=1S/C30H40N2/c1-23-10-9-13-25(20-23)27(18-19-31-26-14-3-2-4-15-26)29-22-32(21-24-11-5-6-12-24)30-17-8-7-16-28(29)30/h7-10,13,16-17,20,22,24,26-27,31H,2-6,11-12,14-15,18-19,21H2,1H3
InChIKeyWZOOZXDMTSRIPG-UHFFFAOYSA-N
XLogP7.58
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579624
N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
CID 142579561
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
CID 160945637
4-N-[3-[1-(cyclohexylmethyl)-5-nitroindol-3-yl]-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine
CID 166691521
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
CID 162459838
4-N-[3-[1-(1-adamantylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine;hydrochloride
CID 166691451
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488
3-[3-[(4-aminocyclohexyl)amino]-1-(3-methylphenyl)propyl]-1-(oxan-4-ylmethyl)indole-5-carbonitrile;hydrochloride
CID 158568536

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
The IUPAC name of N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine (CID 142579745) is N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine is Cc1cccc(C(CCNC2CCCCC2)c2cn(CC3CCCC3)c3ccccc23)c1.
What is the InChIKey of N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
The InChIKey is WZOOZXDMTSRIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2/c1-23-10-9-13-25(20-23)27(18-19-31-26-14-3-2-4-15-26)29-22-32(21-24-11-5-6-12-24)30-17-8-7-16-28(29)30/h7-10,13,16-17,20,22,24,26-27,31H,2-6,11-12,14-15,18-19,21H2,1H3.
What are the key properties of N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine has a molecular weight of 428.66 g/mol, XLogP of 7.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine is sourced from PubChem (CID 142579745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).