3-(2-propan-2-ylcyclohexyl)propan-1-amine

C12H25N — CID 84732620

IUPAC3-(2-propan-2-ylcyclohexyl)propan-1-amine
SMILESCC(C)C1CCCCC1CCCN
InChIInChI=1S/C12H25N/c1-10(2)12-8-4-3-6-11(12)7-5-9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyLBAVNNRUUOUMIL-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds4

About 3-(2-propan-2-ylcyclohexyl)propan-1-amine

3-(2-propan-2-ylcyclohexyl)propan-1-amine (PubChem CID 84732620) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-(2-propan-2-ylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-propan-2-ylcyclohexyl)propan-1-amine
PubChem CID84732620
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-(2-propan-2-ylcyclohexyl)propan-1-amine
SMILESCC(C)C1CCCCC1CCCN
InChIInChI=1S/C12H25N/c1-10(2)12-8-4-3-6-11(12)7-5-9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyLBAVNNRUUOUMIL-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
CID 59105659
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
2-(3-aminopropyl)-N,N-dimethylcyclopentan-1-amine
CID 82412270
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
3-cyclohexylpropan-1-amine;ethane
CID 143945055
1-propan-2-yl-2-prop-2-ynylcyclopentane
CID 163812852
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylcyclohexyl)propan-1-amine?
The IUPAC name of 3-(2-propan-2-ylcyclohexyl)propan-1-amine (CID 84732620) is 3-(2-propan-2-ylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-(2-propan-2-ylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-(2-propan-2-ylcyclohexyl)propan-1-amine is CC(C)C1CCCCC1CCCN.
What is the InChIKey of 3-(2-propan-2-ylcyclohexyl)propan-1-amine?
The InChIKey is LBAVNNRUUOUMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)12-8-4-3-6-11(12)7-5-9-13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylcyclohexyl)propan-1-amine?
3-(2-propan-2-ylcyclohexyl)propan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylcyclohexyl)propan-1-amine is sourced from PubChem (CID 84732620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).