3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol

C13H27NO — CID 81384379

IUPAC3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
SMILESCC(N[C@H](C)C1CCCCC1)C(C)(C)O
InChIInChI=1S/C13H27NO/c1-10(12-8-6-5-7-9-12)14-11(2)13(3,4)15/h10-12,14-15H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyVPZVOHSTLDGCHB-NFJWQWPMSA-N
MW213.37 g/mol
LogP2.70
Rot. Bonds4

About 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol

3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol (PubChem CID 81384379) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
PubChem CID81384379
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
SMILESCC(N[C@H](C)C1CCCCC1)C(C)(C)O
InChIInChI=1S/C13H27NO/c1-10(12-8-6-5-7-9-12)14-11(2)13(3,4)15/h10-12,14-15H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyVPZVOHSTLDGCHB-NFJWQWPMSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81389207
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249
N-(1-cyclopentylethyl)propan-2-amine
CID 59833137
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
N-[(1S)-1-cyclohexylethyl]-2-methylpropan-2-amine
CID 58459053
N-tert-butyl-2-(1-cyclohexylethylamino)propanamide
CID 62405402
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol (CID 81384379) is 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol is CC(N[C@H](C)C1CCCCC1)C(C)(C)O.
What is the InChIKey of 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol?
The InChIKey is VPZVOHSTLDGCHB-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(12-8-6-5-7-9-12)14-11(2)13(3,4)15/h10-12,14-15H,5-9H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol?
3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol has a molecular weight of 213.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 81384379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).