N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine

C15H31N — CID 79836282

IUPACN-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCCC(CC)C(C)NC1CCCCC1(C)C
InChIInChI=1S/C15H31N/c1-6-13(7-2)12(3)16-14-10-8-9-11-15(14,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyBUZGLAJXINOHTL-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine

N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836282) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79836282
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCCC(CC)C(C)NC1CCCCC1(C)C
InChIInChI=1S/C15H31N/c1-6-13(7-2)12(3)16-14-10-8-9-11-15(14,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyBUZGLAJXINOHTL-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

3-[(2,2-dimethylcyclohexyl)amino]-2-methylbutanoic acid
CID 79870300
2,2-dimethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 79836799
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294
3-[(2,2-dimethylcyclohexyl)amino]butan-1-ol
CID 81338842
3-[(2,2-dimethylcyclohexyl)amino]pentanenitrile
CID 79836090
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
2-N-(2,2-dimethylcyclohexyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 79836789
3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide
CID 79879009
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
3-[(2,2-dimethylcyclopentyl)amino]pentan-1-ol
CID 115723124
N-(1-cyclopropylpropan-2-yl)-2,2-dimethylcyclopentan-1-amine
CID 79857434
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine (CID 79836282) is N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine is CCC(CC)C(C)NC1CCCCC1(C)C.
What is the InChIKey of N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is BUZGLAJXINOHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-13(7-2)12(3)16-14-10-8-9-11-15(14,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine?
N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).