azane;prop-2-en-1-amine;hydrochloride

C3H11ClN2 — CID 174769077

IUPACazane;prop-2-en-1-amine;hydrochloride
SMILESC=CCN.Cl.N
InChIInChI=1S/C3H7N.ClH.H3N/c1-2-3-4;;/h2H,1,3-4H2;1H;1H3
InChIKeyXVBBOOPWSQKLOA-UHFFFAOYSA-N
MW110.59 g/mol
LogP0.71
Rot. Bonds1

About azane;prop-2-en-1-amine;hydrochloride

azane;prop-2-en-1-amine;hydrochloride (PubChem CID 174769077) has the molecular formula C3H11ClN2 and a molecular weight of 110.59 g/mol. Its IUPAC name is azane;prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Nameazane;prop-2-en-1-amine;hydrochloride
PubChem CID174769077
Molecular FormulaC3H11ClN2
Molecular Weight110.59 g/mol
Exact Mass110.06
IUPAC Nameazane;prop-2-en-1-amine;hydrochloride
SMILESC=CCN.Cl.N
InChIInChI=1S/C3H7N.ClH.H3N/c1-2-3-4;;/h2H,1,3-4H2;1H;1H3
InChIKeyXVBBOOPWSQKLOA-UHFFFAOYSA-N
XLogP0.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.59
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67816454
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CID 161130166
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CID 87364859
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CID 87783946
fluorophosphonic acid;prop-2-en-1-amine
CID 173413969
1,1-bis(prop-2-enyl)hydrazine;dihydrochloride
CID 174545324
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of azane;prop-2-en-1-amine;hydrochloride?
The IUPAC name of azane;prop-2-en-1-amine;hydrochloride (CID 174769077) is azane;prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for azane;prop-2-en-1-amine;hydrochloride?
The canonical SMILES for azane;prop-2-en-1-amine;hydrochloride is C=CCN.Cl.N.
What is the InChIKey of azane;prop-2-en-1-amine;hydrochloride?
The InChIKey is XVBBOOPWSQKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.ClH.H3N/c1-2-3-4;;/h2H,1,3-4H2;1H;1H3.
What are the key properties of azane;prop-2-en-1-amine;hydrochloride?
azane;prop-2-en-1-amine;hydrochloride has a molecular weight of 110.59 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 174769077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).