(2R)-2-(cyclohexylamino)but-3-en-1-ol

C10H19NO — CID 132534038

IUPAC(2R)-2-(cyclohexylamino)but-3-en-1-ol
SMILESC=C[C@H](CO)NC1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h2,9-12H,1,3-8H2/t9-/m1/s1
InChIKeyUDSNTCGZLXIUFO-SECBINFHSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

About (2R)-2-(cyclohexylamino)but-3-en-1-ol

(2R)-2-(cyclohexylamino)but-3-en-1-ol (PubChem CID 132534038) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2R)-2-(cyclohexylamino)but-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-(cyclohexylamino)but-3-en-1-ol
PubChem CID132534038
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2R)-2-(cyclohexylamino)but-3-en-1-ol
SMILESC=C[C@H](CO)NC1CCCCC1
InChIInChI=1S/C10H19NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h2,9-12H,1,3-8H2/t9-/m1/s1
InChIKeyUDSNTCGZLXIUFO-SECBINFHSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-(cyclohexylamino)but-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylamino)but-3-en-1-ol?
The IUPAC name of (2R)-2-(cyclohexylamino)but-3-en-1-ol (CID 132534038) is (2R)-2-(cyclohexylamino)but-3-en-1-ol.
What is the SMILES notation for (2R)-2-(cyclohexylamino)but-3-en-1-ol?
The canonical SMILES for (2R)-2-(cyclohexylamino)but-3-en-1-ol is C=C[C@H](CO)NC1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylamino)but-3-en-1-ol?
The InChIKey is UDSNTCGZLXIUFO-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h2,9-12H,1,3-8H2/t9-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylamino)but-3-en-1-ol?
(2R)-2-(cyclohexylamino)but-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylamino)but-3-en-1-ol is sourced from PubChem (CID 132534038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).