N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine

C15H31N — CID 63456173

IUPACN-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)C(C)CC)CC1
InChIInChI=1S/C15H31N/c1-5-7-14-8-10-15(11-9-14)16-13(4)12(3)6-2/h12-16H,5-11H2,1-4H3
InChIKeyKPAWCXZDONXWPR-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds6

About N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine

N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 63456173) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
PubChem CID63456173
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(C)C(C)CC)CC1
InChIInChI=1S/C15H31N/c1-5-7-14-8-10-15(11-9-14)16-13(4)12(3)6-2/h12-16H,5-11H2,1-4H3
InChIKeyKPAWCXZDONXWPR-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091481
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
CID 43201193
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
CID 113233122
N-(5-ethyl-3-methylheptan-2-yl)cyclopropanamine
CID 82930868
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
4-ethyl-N-(3-ethylpentan-2-yl)cyclohexan-1-amine
CID 63842608
N,2-dimethyl-1-(4-propylcyclohexyl)butan-1-amine
CID 79445973
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
CID 65060463
1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
CID 65070746

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine (CID 63456173) is N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(NC(C)C(C)CC)CC1.
What is the InChIKey of N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is KPAWCXZDONXWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-7-14-8-10-15(11-9-14)16-13(4)12(3)6-2/h12-16H,5-11H2,1-4H3.
What are the key properties of N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63456173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).