2-amino-1-cyclohexylpropan-2-ol

C9H19NO — CID 57094409

IUPAC2-amino-1-cyclohexylpropan-2-ol
SMILESCC(N)(O)CC1CCCCC1
InChIInChI=1S/C9H19NO/c1-9(10,11)7-8-5-3-2-4-6-8/h8,11H,2-7,10H2,1H3
InChIKeyUQCRKZHNTBMSIN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.62
Rot. Bonds2

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

2-amino-1-cyclohexylpropan-2-ol (PubChem CID 57094409) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-amino-1-cyclohexylpropan-2-ol.

Molecular Properties

Compound Name2-amino-1-cyclohexylpropan-2-ol
PubChem CID57094409
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-amino-1-cyclohexylpropan-2-ol
SMILESCC(N)(O)CC1CCCCC1
InChIInChI=1S/C9H19NO/c1-9(10,11)7-8-5-3-2-4-6-8/h8,11H,2-7,10H2,1H3
InChIKeyUQCRKZHNTBMSIN-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexylpropan-2-ol?
The IUPAC name of 2-amino-1-cyclohexylpropan-2-ol (CID 57094409) is 2-amino-1-cyclohexylpropan-2-ol.
What is the SMILES notation for 2-amino-1-cyclohexylpropan-2-ol?
The canonical SMILES for 2-amino-1-cyclohexylpropan-2-ol is CC(N)(O)CC1CCCCC1.
What is the InChIKey of 2-amino-1-cyclohexylpropan-2-ol?
The InChIKey is UQCRKZHNTBMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(10,11)7-8-5-3-2-4-6-8/h8,11H,2-7,10H2,1H3.
What are the key properties of 2-amino-1-cyclohexylpropan-2-ol?
2-amino-1-cyclohexylpropan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexylpropan-2-ol is sourced from PubChem (CID 57094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).