2-amino-3-cyclohexylpropan-1-ol

C9H19NO — CID 4068950

IUPAC2-amino-3-cyclohexylpropan-1-ol
SMILESNC(CO)CC1CCCCC1
InChIInChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2
InChIKeyQWDRYURVUDZKSG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds3

About 2-amino-3-cyclohexylpropan-1-ol

2-amino-3-cyclohexylpropan-1-ol (PubChem CID 4068950) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-amino-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-cyclohexylpropan-1-ol
PubChem CID4068950
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-amino-3-cyclohexylpropan-1-ol
SMILESNC(CO)CC1CCCCC1
InChIInChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2
InChIKeyQWDRYURVUDZKSG-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexylpropan-1-ol?
The IUPAC name of 2-amino-3-cyclohexylpropan-1-ol (CID 4068950) is 2-amino-3-cyclohexylpropan-1-ol.
What is the SMILES notation for 2-amino-3-cyclohexylpropan-1-ol?
The canonical SMILES for 2-amino-3-cyclohexylpropan-1-ol is NC(CO)CC1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexylpropan-1-ol?
The InChIKey is QWDRYURVUDZKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2.
What are the key properties of 2-amino-3-cyclohexylpropan-1-ol?
2-amino-3-cyclohexylpropan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 4068950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).