N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine

C12H25N — CID 58459053

IUPACN-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
SMILESC[C@H](NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H25N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyQRDWAYOCKDGCPD-JTQLQIEISA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds2

About N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine

N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine (PubChem CID 58459053) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
PubChem CID58459053
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
SMILESC[C@H](NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H25N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyQRDWAYOCKDGCPD-JTQLQIEISA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
[(1R)-1-cyclohexylethyl]hydrazine
CID 51585397
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81389207
3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384379
N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine
CID 138569286

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine (CID 58459053) is N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine is C[C@H](NC(C)(C)C)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine?
The InChIKey is QRDWAYOCKDGCPD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h10-11,13H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine?
N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 58459053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).