[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine

C17H35N — CID 114201490

IUPAC[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(CC(C)CC(C)C)C1
InChIInChI=1S/C17H35N/c1-5-6-15-7-8-16(12-18)17(11-15)10-14(4)9-13(2)3/h13-17H,5-12,18H2,1-4H3
InChIKeyFWFXPWDXZRAETI-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.85
Rot. Bonds7

About [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine

[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine (PubChem CID 114201490) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
PubChem CID114201490
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(CC(C)CC(C)C)C1
InChIInChI=1S/C17H35N/c1-5-6-15-7-8-16(12-18)17(11-15)10-14(4)9-13(2)3/h13-17H,5-12,18H2,1-4H3
InChIKeyFWFXPWDXZRAETI-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
CID 63404191
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
(3-propylcyclopentyl)methanamine
CID 83635339
[2-(2-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767179
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767418
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine (CID 114201490) is [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(CC(C)CC(C)C)C1.
What is the InChIKey of [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine?
The InChIKey is FWFXPWDXZRAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-15-7-8-16(12-18)17(11-15)10-14(4)9-13(2)3/h13-17H,5-12,18H2,1-4H3.
What are the key properties of [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine?
[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine has a molecular weight of 253.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 114201490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).