(E)-4-(cyclohexylamino)but-2-en-1-ol

C10H19NO — CID 115013644

IUPAC(E)-4-(cyclohexylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCCCC1
InChIInChI=1S/C10H19NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h4-5,10-12H,1-3,6-9H2/b5-4+
InChIKeyXGNWUYPZJMMFLU-SNAWJCMRSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

About (E)-4-(cyclohexylamino)but-2-en-1-ol

(E)-4-(cyclohexylamino)but-2-en-1-ol (PubChem CID 115013644) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-4-(cyclohexylamino)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(cyclohexylamino)but-2-en-1-ol
PubChem CID115013644
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-4-(cyclohexylamino)but-2-en-1-ol
SMILESOC/C=C/CNC1CCCCC1
InChIInChI=1S/C10H19NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h4-5,10-12H,1-3,6-9H2/b5-4+
InChIKeyXGNWUYPZJMMFLU-SNAWJCMRSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(cyclohexylamino)but-2-en-1-ol?
The IUPAC name of (E)-4-(cyclohexylamino)but-2-en-1-ol (CID 115013644) is (E)-4-(cyclohexylamino)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(cyclohexylamino)but-2-en-1-ol?
The canonical SMILES for (E)-4-(cyclohexylamino)but-2-en-1-ol is OC/C=C/CNC1CCCCC1.
What is the InChIKey of (E)-4-(cyclohexylamino)but-2-en-1-ol?
The InChIKey is XGNWUYPZJMMFLU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h4-5,10-12H,1-3,6-9H2/b5-4+.
What are the key properties of (E)-4-(cyclohexylamino)but-2-en-1-ol?
(E)-4-(cyclohexylamino)but-2-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 (E)-4-(cyclohexylamino)but-2-en-1-ol is sourced from PubChem (CID 115013644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).