N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride

C12H18ClN — CID 173066031

IUPACN-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
SMILESC=CCN(CC)Cc1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-3-10-13(4-2)11-12-8-6-5-7-9-12;/h3,5-9H,1,4,10-11H2,2H3;1H
InChIKeyAZGOXXJZTSVJIQ-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.12
Rot. Bonds5

About N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride

N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride (PubChem CID 173066031) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
PubChem CID173066031
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
SMILESC=CCN(CC)Cc1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-3-10-13(4-2)11-12-8-6-5-7-9-12;/h3,5-9H,1,4,10-11H2,2H3;1H
InChIKeyAZGOXXJZTSVJIQ-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174895763
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N-benzyl-N-ethylethanamine;methanethiol
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N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
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N-benzyl-2-methyl-N-prop-2-enylpropan-2-amine;hydrochloride
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methyl 2-[benzyl(prop-2-enyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride?
The IUPAC name of N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride (CID 173066031) is N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride is C=CCN(CC)Cc1ccccc1.Cl.
What is the InChIKey of N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride?
The InChIKey is AZGOXXJZTSVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-3-10-13(4-2)11-12-8-6-5-7-9-12;/h3,5-9H,1,4,10-11H2,2H3;1H.
What are the key properties of N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride?
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 173066031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).