(2R,4R)-4-amino-4-cyclohexylbutan-2-ol

C10H21NO — CID 131096382

IUPAC(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
SMILESC[C@@H](O)C[C@@H](N)C1CCCCC1
InChIInChI=1S/C10H21NO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h8-10,12H,2-7,11H2,1H3/t8-,10-/m1/s1
InChIKeyVGVYDHMHVPKRHH-PSASIEDQSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds3

About (2R,4R)-4-amino-4-cyclohexylbutan-2-ol

(2R,4R)-4-amino-4-cyclohexylbutan-2-ol (PubChem CID 131096382) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R,4R)-4-amino-4-cyclohexylbutan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
PubChem CID131096382
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
SMILESC[C@@H](O)C[C@@H](N)C1CCCCC1
InChIInChI=1S/C10H21NO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h8-10,12H,2-7,11H2,1H3/t8-,10-/m1/s1
InChIKeyVGVYDHMHVPKRHH-PSASIEDQSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-cyclohexyl-6-methylheptan-3-ol
CID 22367824
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
(1S,3R)-1-cyclopentylbutane-1,3-diol
CID 130757763
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
CID 174274064
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
4-cyclohexylhexan-2-ol
CID 11830109
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
1-cyclopentyl-3,5,5-trimethylhexan-1-amine
CID 115778345
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-4-cyclohexylbutan-2-ol?
The IUPAC name of (2R,4R)-4-amino-4-cyclohexylbutan-2-ol (CID 131096382) is (2R,4R)-4-amino-4-cyclohexylbutan-2-ol.
What is the SMILES notation for (2R,4R)-4-amino-4-cyclohexylbutan-2-ol?
The canonical SMILES for (2R,4R)-4-amino-4-cyclohexylbutan-2-ol is C[C@@H](O)C[C@@H](N)C1CCCCC1.
What is the InChIKey of (2R,4R)-4-amino-4-cyclohexylbutan-2-ol?
The InChIKey is VGVYDHMHVPKRHH-PSASIEDQSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(12)7-10(11)9-5-3-2-4-6-9/h8-10,12H,2-7,11H2,1H3/t8-,10-/m1/s1.
What are the key properties of (2R,4R)-4-amino-4-cyclohexylbutan-2-ol?
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-4-cyclohexylbutan-2-ol is sourced from PubChem (CID 131096382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).