acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride

C8H16ClNO2 — CID 175090067

IUPACacetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride
SMILESC=CCNCC=C.CC(=O)O.Cl
InChIInChI=1S/C6H11N.C2H4O2.ClH/c1-3-5-7-6-4-2;1-2(3)4;/h3-4,7H,1-2,5-6H2;1H3,(H,3,4);1H
InChIKeyYKYLNONZEWVNFS-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.46
Rot. Bonds4

About acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride

acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride (PubChem CID 175090067) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Nameacetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride
PubChem CID175090067
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nameacetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride
SMILESC=CCNCC=C.CC(=O)O.Cl
InChIInChI=1S/C6H11N.C2H4O2.ClH/c1-3-5-7-6-4-2;1-2(3)4;/h3-4,7H,1-2,5-6H2;1H3,(H,3,4);1H
InChIKeyYKYLNONZEWVNFS-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetic acid;N-prop-2-enylprop-2-en-1-amine;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

N-prop-2-enylbutan-1-amine;2,2,2-trifluoroacetic acid
CID 145948163
Diallylamine trifluoroacetate
CID 86195184
Methyl-bis(prop-2-enyl)azanium acetate
CID 73556402
N-prop-2-enylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 173273421
Diallylammonium acetate
CID 134716123
2-(Allylamino)acetic acid hydrochloride
CID 19364742
2-[[(E)-but-2-enyl]amino]acetic acid;hydrochloride
CID 19364761
acetic acid;N-prop-2-enylprop-2-en-1-amine
CID 87182263
acetic acid;2-N-prop-2-enylpropane-1,2-diamine
CID 87207093
Tris(prop-2-enyl)azanium acetate
CID 87689086
propanoic acid;N-prop-2-enylprop-2-en-1-amine
CID 87985553
Prop-2-en-1-amine;2-(propylamino)acetic acid
CID 88011033

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The IUPAC name of acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride (CID 175090067) is acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride is C=CCNCC=C.CC(=O)O.Cl.
What is the InChIKey of acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The InChIKey is YKYLNONZEWVNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H4O2.ClH/c1-3-5-7-6-4-2;1-2(3)4;/h3-4,7H,1-2,5-6H2;1H3,(H,3,4);1H.
What are the key properties of acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride?
acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride has a molecular weight of 193.67 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 acetic acid;N-prop-2-enylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 175090067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).