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

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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).