(3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane

C10H19NO — CID 143768232

IUPAC(3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane
SMILESC=C/C=C(\C=C)CC(N)O.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-7(4-2)6-8(9)10;1-2/h3-5,8,10H,1-2,6,9H2;1-2H3/b7-5+;
InChIKeyVTXDKKOKILVRSY-GZOLSCHFSA-N
MW169.27 g/mol
LogP1.98
Rot. Bonds4

About (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane

(3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane (PubChem CID 143768232) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane.

Molecular Properties

Compound Name(3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane
PubChem CID143768232
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane
SMILESC=C/C=C(\C=C)CC(N)O.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-7(4-2)6-8(9)10;1-2/h3-5,8,10H,1-2,6,9H2;1-2H3/b7-5+;
InChIKeyVTXDKKOKILVRSY-GZOLSCHFSA-N
XLogP1.98
TPSA46.25 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane 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 (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
The IUPAC name of (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane (CID 143768232) is (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane.
What is the SMILES notation for (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
The canonical SMILES for (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane is C=C/C=C(\C=C)CC(N)O.CC.
What is the InChIKey of (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
The InChIKey is VTXDKKOKILVRSY-GZOLSCHFSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-3-5-7(4-2)6-8(9)10;1-2/h3-5,8,10H,1-2,6,9H2;1-2H3/b7-5+;.
What are the key properties of (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane?
(3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane has a molecular weight of 169.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-amino-3-ethenylhexa-3,5-dien-1-ol;ethane is sourced from PubChem (CID 143768232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).