(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine

C13H27N — CID 59965988

IUPAC(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N[C@@H](C(C)C)C1CCCCC1
InChIInChI=1S/C13H27N/c1-10(2)13(14-11(3)4)12-8-6-5-7-9-12/h10-14H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyHXBPHPLUZMMTOK-ZDUSSCGKSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds4

About (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine

(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 59965988) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID59965988
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N[C@@H](C(C)C)C1CCCCC1
InChIInChI=1S/C13H27N/c1-10(2)13(14-11(3)4)12-8-6-5-7-9-12/h10-14H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyHXBPHPLUZMMTOK-ZDUSSCGKSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 166781304
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CID 170079336
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
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N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
1-cyclohexyl-2,2-difluoro-N-methylethanamine
CID 80606050
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
1-cyclohexyl-1-N-methylpropane-1,2-diamine
CID 116948168
N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
CID 79299262
methane;propan-2-ylcyclotetradecane
CID 159882779

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine (CID 59965988) is (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)N[C@@H](C(C)C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is HXBPHPLUZMMTOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)13(14-11(3)4)12-8-6-5-7-9-12/h10-14H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine?
(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 59965988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).