3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine

C16H31N — CID 114099437

IUPAC3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
SMILESCC(C)C(C)(C)CNC1CCCC(C2CC2)C1
InChIInChI=1S/C16H31N/c1-12(2)16(3,4)11-17-15-7-5-6-14(10-15)13-8-9-13/h12-15,17H,5-11H2,1-4H3
InChIKeyCQMNSTMJIVNJLY-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds5

About 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine

3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine (PubChem CID 114099437) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
PubChem CID114099437
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine
SMILESCC(C)C(C)(C)CNC1CCCC(C2CC2)C1
InChIInChI=1S/C16H31N/c1-12(2)16(3,4)11-17-15-7-5-6-14(10-15)13-8-9-13/h12-15,17H,5-11H2,1-4H3
InChIKeyCQMNSTMJIVNJLY-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 64624615
(2S)-5-[[(1R,3R)-3-cyclopropylcyclohexyl]amino]-4,4-dimethylpentan-2-ol
CID 124864824
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-2-methylpropan-2-ol
CID 63239236
1-[(3-cyclopropylcyclohexyl)amino]propan-2-ol
CID 64593899
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-2-ol
CID 115720450
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 115592687
N-(2,2,3-trimethylbutyl)oxepan-4-amine
CID 102613607
N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81387835
N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776965
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine (CID 114099437) is 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine is CC(C)C(C)(C)CNC1CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine?
The InChIKey is CQMNSTMJIVNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)16(3,4)11-17-15-7-5-6-14(10-15)13-8-9-13/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine?
3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,2,3-trimethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 114099437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).