(2S)-2-amino-4-cyclohexylbutan-1-ol

C10H21NO — CID 11447105

IUPAC(2S)-2-amino-4-cyclohexylbutan-1-ol
SMILESN[C@H](CO)CCC1CCCCC1
InChIInChI=1S/C10H21NO/c11-10(8-12)7-6-9-4-2-1-3-5-9/h9-10,12H,1-8,11H2/t10-/m0/s1
InChIKeyPMHWXPGVNNIANN-JTQLQIEISA-N
MW171.28 g/mol
LogP1.67
Rot. Bonds4

About (2S)-2-amino-4-cyclohexylbutan-1-ol

(2S)-2-amino-4-cyclohexylbutan-1-ol (PubChem CID 11447105) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-2-amino-4-cyclohexylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-cyclohexylbutan-1-ol
PubChem CID11447105
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-2-amino-4-cyclohexylbutan-1-ol
SMILESN[C@H](CO)CCC1CCCCC1
InChIInChI=1S/C10H21NO/c11-10(8-12)7-6-9-4-2-1-3-5-9/h9-10,12H,1-8,11H2/t10-/m0/s1
InChIKeyPMHWXPGVNNIANN-JTQLQIEISA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1-cyclohexylhexan-3-amine
CID 43370456
3-cyclohexyl-1-cyclopropylpropan-1-amine
CID 63355132
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
1-cyclohexyl-6,6,6-trifluorohexan-3-amine
CID 104992655
1-cyclohexyl-5-ethylheptan-3-amine
CID 105028019
1,5-dicyclohexylpentan-3-ol
CID 56981010
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
4-amino-5-cyclohexylpentan-1-ol
CID 82406010
(2R,3R,4R)-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54540635
4-cyclohexylbutane-1,1-diamine
CID 174921978
1-cyclohexyl-5-methylsulfonylpentan-3-amine
CID 115848165

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-cyclohexylbutan-1-ol?
The IUPAC name of (2S)-2-amino-4-cyclohexylbutan-1-ol (CID 11447105) is (2S)-2-amino-4-cyclohexylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-cyclohexylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-4-cyclohexylbutan-1-ol is N[C@H](CO)CCC1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-cyclohexylbutan-1-ol?
The InChIKey is PMHWXPGVNNIANN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c11-10(8-12)7-6-9-4-2-1-3-5-9/h9-10,12H,1-8,11H2/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-cyclohexylbutan-1-ol?
(2S)-2-amino-4-cyclohexylbutan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-cyclohexylbutan-1-ol is sourced from PubChem (CID 11447105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).