azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride

C9H18ClNO — CID 174886040

IUPACazane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride
SMILESC=CCC(=CCO)CC=C.Cl.N
InChIInChI=1S/C9H14O.ClH.H3N/c1-3-5-9(6-4-2)7-8-10;;/h3-4,7,10H,1-2,5-6,8H2;1H;1H3
InChIKeyIDTSJJRXYJRQAP-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.64
Rot. Bonds5

About azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride

azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride (PubChem CID 174886040) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride.

Molecular Properties

Compound Nameazane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride
PubChem CID174886040
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Nameazane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride
SMILESC=CCC(=CCO)CC=C.Cl.N
InChIInChI=1S/C9H14O.ClH.H3N/c1-3-5-9(6-4-2)7-8-10;;/h3-4,7,10H,1-2,5-6,8H2;1H;1H3
InChIKeyIDTSJJRXYJRQAP-UHFFFAOYSA-N
XLogP2.64
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-prop-2-enylbut-2-ene-1,4-diol
CID 88717764
(2Z)-3-iodohexa-2,5-dien-1-ol
CID 101020716
4-prop-2-enylocta-1,4-diene
CID 173317146
alumane;prop-2-en-1-ol
CID 173215342
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
palladium;prop-2-en-1-ol
CID 174738177
tris(prop-2-en-1-ol);titanium
CID 177430302
prop-2-en-1-ol;stannane
CID 173011847
(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
CID 59970612
2-(3-prop-2-enylhexa-2,5-dienyl)phenol
CID 70595420
acetic acid;2-ethylidenepent-4-en-1-ol
CID 71397041
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517

Frequently Asked Questions

What is the IUPAC name of azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride?
The IUPAC name of azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride (CID 174886040) is azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride.
What is the SMILES notation for azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride?
The canonical SMILES for azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride is C=CCC(=CCO)CC=C.Cl.N.
What is the InChIKey of azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride?
The InChIKey is IDTSJJRXYJRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.ClH.H3N/c1-3-5-9(6-4-2)7-8-10;;/h3-4,7,10H,1-2,5-6,8H2;1H;1H3.
What are the key properties of azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride?
azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride is sourced from PubChem (CID 174886040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).