2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine

C18H37N — CID 83158482

IUPAC2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1CCCC(C)C
InChIInChI=1S/C18H37N/c1-6-12-19-18-11-10-16(15(4)5)13-17(18)9-7-8-14(2)3/h14-19H,6-13H2,1-5H3
InChIKeyPCUPQBFGCHFNTP-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds8

About 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine

2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 83158482) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID83158482
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1CCCC(C)C
InChIInChI=1S/C18H37N/c1-6-12-19-18-11-10-16(15(4)5)13-17(18)9-7-8-14(2)3/h14-19H,6-13H2,1-5H3
InChIKeyPCUPQBFGCHFNTP-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63474366
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63483028
2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 103283261

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 83158482) is 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1CCCC(C)C.
What is the InChIKey of 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is PCUPQBFGCHFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-12-19-18-11-10-16(15(4)5)13-17(18)9-7-8-14(2)3/h14-19H,6-13H2,1-5H3.
What are the key properties of 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 83158482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).