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

C10H21NO — CID 102516079

IUPAC(4S)-4-amino-4-cyclohexylbutan-1-ol
SMILESN[C@@H](CCCO)C1CCCCC1
InChIInChI=1S/C10H21NO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h9-10,12H,1-8,11H2/t10-/m0/s1
InChIKeyUPGGXULIAQHENL-JTQLQIEISA-N
MW171.28 g/mol
LogP1.67
Rot. Bonds4

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

(4S)-4-amino-4-cyclohexylbutan-1-ol (PubChem CID 102516079) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4S)-4-amino-4-cyclohexylbutan-1-ol.

Molecular Properties

Compound Name(4S)-4-amino-4-cyclohexylbutan-1-ol
PubChem CID102516079
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4S)-4-amino-4-cyclohexylbutan-1-ol
SMILESN[C@@H](CCCO)C1CCCCC1
InChIInChI=1S/C10H21NO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h9-10,12H,1-8,11H2/t10-/m0/s1
InChIKeyUPGGXULIAQHENL-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

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CID 82406010
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1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
1-cyclohexyl-6-cyclohexylideneoctan-1-amine
CID 145204269
1-cyclooctylpent-4-yn-1-amine
CID 80603767
1-cyclohexyl-4,4,4-trifluorobutan-1-amine
CID 64565147
6-cyclohexyl-4-methylheptan-1-ol
CID 142413508
1-cyclobutylnonan-1-amine
CID 64986616
5-cyclohexyl-5-sulfanylpentan-1-ol
CID 87600035
1-cyclohexylheptane-1,7-diol
CID 67923944

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-cyclohexylbutan-1-ol?
The IUPAC name of (4S)-4-amino-4-cyclohexylbutan-1-ol (CID 102516079) is (4S)-4-amino-4-cyclohexylbutan-1-ol.
What is the SMILES notation for (4S)-4-amino-4-cyclohexylbutan-1-ol?
The canonical SMILES for (4S)-4-amino-4-cyclohexylbutan-1-ol is N[C@@H](CCCO)C1CCCCC1.
What is the InChIKey of (4S)-4-amino-4-cyclohexylbutan-1-ol?
The InChIKey is UPGGXULIAQHENL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h9-10,12H,1-8,11H2/t10-/m0/s1.
What are the key properties of (4S)-4-amino-4-cyclohexylbutan-1-ol?
(4S)-4-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 (4S)-4-amino-4-cyclohexylbutan-1-ol is sourced from PubChem (CID 102516079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).