N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine

C14H29N — CID 104827652

IUPACN-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
SMILESCC(NC(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H29N/c1-11(13-9-7-6-8-10-13)15-12(2)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyZCUKZCJSXJZYDE-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds3

About N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine

N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine (PubChem CID 104827652) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
PubChem CID104827652
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
SMILESCC(NC(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H29N/c1-11(13-9-7-6-8-10-13)15-12(2)14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyZCUKZCJSXJZYDE-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81389207
3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384379
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
CID 58459053
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
CID 113457709
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
1-cycloheptylpropane-1,2-diol
CID 103452573

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine (CID 104827652) is N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine is CC(NC(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine?
The InChIKey is ZCUKZCJSXJZYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(13-9-7-6-8-10-13)15-12(2)14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine?
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 104827652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).