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

C6H12ClN — CID 521977

IUPACN-prop-2-enylprop-2-en-1-amine;hydrochloride
SMILESC=CCNCC=C.Cl
InChIInChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyPZNOBXVHZYGUEX-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.37
Rot. Bonds4

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

N-prop-2-enylprop-2-en-1-amine;hydrochloride (PubChem CID 521977) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is N-prop-2-enylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enylprop-2-en-1-amine;hydrochloride
PubChem CID521977
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC NameN-prop-2-enylprop-2-en-1-amine;hydrochloride
SMILESC=CCNCC=C.Cl
InChIInChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyPZNOBXVHZYGUEX-UHFFFAOYSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The IUPAC name of N-prop-2-enylprop-2-en-1-amine;hydrochloride (CID 521977) is N-prop-2-enylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-prop-2-enylprop-2-en-1-amine;hydrochloride is C=CCNCC=C.Cl.
What is the InChIKey of N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The InChIKey is PZNOBXVHZYGUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H.
What are the key properties of N-prop-2-enylprop-2-en-1-amine;hydrochloride?
N-prop-2-enylprop-2-en-1-amine;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 521977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).