[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine

C16H33N — CID 114284991

IUPAC[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(C(C)CC(C)C)C1
InChIInChI=1S/C16H33N/c1-5-6-14-7-8-15(11-17)16(10-14)13(4)9-12(2)3/h12-16H,5-11,17H2,1-4H3
InChIKeyIHLOUPZZYSZEAA-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.46
Rot. Bonds6

About [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine

[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine (PubChem CID 114284991) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
PubChem CID114284991
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(C(C)CC(C)C)C1
InChIInChI=1S/C16H33N/c1-5-6-14-7-8-15(11-17)16(10-14)13(4)9-12(2)3/h12-16H,5-11,17H2,1-4H3
InChIKeyIHLOUPZZYSZEAA-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
CID 114201490
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
CID 63404191
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
(3-propylcyclopentyl)methanamine
CID 83635339
[2-(3-methylbutylsulfinyl)-4-propylcyclohexyl]methanamine
CID 107767479
[2-(3-methylbutylsulfonyl)-4-propylcyclohexyl]methanamine
CID 107767418
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257
[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine
CID 43428836

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine (CID 114284991) is [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(C(C)CC(C)C)C1.
What is the InChIKey of [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is IHLOUPZZYSZEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-6-14-7-8-15(11-17)16(10-14)13(4)9-12(2)3/h12-16H,5-11,17H2,1-4H3.
What are the key properties of [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine?
[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 239.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 114284991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).