4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine

C30H41N3 — CID 160785399

IUPAC4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine
SMILESNC1CCC(CCCC(c2cccnc2)c2cn(CC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C30H41N3/c31-26-17-15-23(16-18-26)10-6-13-27(25-11-7-19-32-20-25)29-22-33(21-24-8-2-1-3-9-24)30-14-5-4-12-28(29)30/h4-5,7,11-12,14,19-20,22-24,26-27H,1-3,6,8-10,13,15-18,21,31H2
InChIKeySBDFBANKXQUHIF-UHFFFAOYSA-N
MW443.68 g/mol
LogP7.44
Rot. Bonds8

About 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine

4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine (PubChem CID 160785399) has the molecular formula C30H41N3 and a molecular weight of 443.68 g/mol. Its IUPAC name is 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine
PubChem CID160785399
Molecular FormulaC30H41N3
Molecular Weight443.68 g/mol
Exact Mass443.33
IUPAC Name4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine
SMILESNC1CCC(CCCC(c2cccnc2)c2cn(CC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C30H41N3/c31-26-17-15-23(16-18-26)10-6-13-27(25-11-7-19-32-20-25)29-22-33(21-24-8-2-1-3-9-24)30-14-5-4-12-28(29)30/h4-5,7,11-12,14,19-20,22-24,26-27H,1-3,6,8-10,13,15-18,21,31H2
InChIKeySBDFBANKXQUHIF-UHFFFAOYSA-N
XLogP7.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine with MolForge

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Related Compounds

N'-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-pyridin-3-ylpropyl]propane-1,3-diamine;hydrochloride
CID 162459905
4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-(2-methylphenyl)butyl]cyclohexan-1-amine
CID 161181861
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
5-(4-aminocyclohexyl)-1-[1-(cyclohexylmethyl)indol-3-yl]-1-(3-methylphenyl)pentan-3-one;hydrochloride
CID 158883705
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
CID 160945637
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-isoquinolin-4-ylpropanamide
CID 149471860
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-quinolin-3-ylpropanamide
CID 162460048
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
1-benzyl-3-[1-(1-benzylindol-3-yl)-3-cyclohexylpropyl]indole
CID 102450408
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one
CID 142579700

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine?
The IUPAC name of 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine (CID 160785399) is 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine is NC1CCC(CCCC(c2cccnc2)c2cn(CC3CCCCC3)c3ccccc23)CC1.
What is the InChIKey of 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine?
The InChIKey is SBDFBANKXQUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3/c31-26-17-15-23(16-18-26)10-6-13-27(25-11-7-19-32-20-25)29-22-33(21-24-8-2-1-3-9-24)30-14-5-4-12-28(29)30/h4-5,7,11-12,14,19-20,22-24,26-27H,1-3,6,8-10,13,15-18,21,31H2.
What are the key properties of 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine?
4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine has a molecular weight of 443.68 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-pyridin-3-ylbutyl]cyclohexan-1-amine is sourced from PubChem (CID 160785399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).