4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol

C10H21NO2 — CID 130709057

IUPAC4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol
SMILESCC(O)C(C)NC1CCC(O)CC1
InChIInChI=1S/C10H21NO2/c1-7(8(2)12)11-9-3-5-10(13)6-4-9/h7-13H,3-6H2,1-2H3
InChIKeyAEEOOBVSHISNLU-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds3

About 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol

4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol (PubChem CID 130709057) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol
PubChem CID130709057
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol
SMILESCC(O)C(C)NC1CCC(O)CC1
InChIInChI=1S/C10H21NO2/c1-7(8(2)12)11-9-3-5-10(13)6-4-9/h7-13H,3-6H2,1-2H3
InChIKeyAEEOOBVSHISNLU-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol (CID 130709057) is 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol is CC(O)C(C)NC1CCC(O)CC1.
What is the InChIKey of 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol?
The InChIKey is AEEOOBVSHISNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(8(2)12)11-9-3-5-10(13)6-4-9/h7-13H,3-6H2,1-2H3.
What are the key properties of 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol?
4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 130709057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).