N-ethylbut-2-en-1-amine;hydrochloride

C6H14ClN — CID 155653042

IUPACN-ethylbut-2-en-1-amine;hydrochloride
SMILESCC=CCNCC.Cl
InChIInChI=1S/C6H13N.ClH/c1-3-5-6-7-4-2;/h3,5,7H,4,6H2,1-2H3;1H
InChIKeyVNNPSGKGIAZTPP-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.59
Rot. Bonds3

About N-ethylbut-2-en-1-amine;hydrochloride

N-ethylbut-2-en-1-amine;hydrochloride (PubChem CID 155653042) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is N-ethylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-ethylbut-2-en-1-amine;hydrochloride
PubChem CID155653042
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC NameN-ethylbut-2-en-1-amine;hydrochloride
SMILESCC=CCNCC.Cl
InChIInChI=1S/C6H13N.ClH/c1-3-5-6-7-4-2;/h3,5,7H,4,6H2,1-2H3;1H
InChIKeyVNNPSGKGIAZTPP-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.59
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-ethylbut-2-en-1-amine;hydrochloride?
The IUPAC name of N-ethylbut-2-en-1-amine;hydrochloride (CID 155653042) is N-ethylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-ethylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for N-ethylbut-2-en-1-amine;hydrochloride is CC=CCNCC.Cl.
What is the InChIKey of N-ethylbut-2-en-1-amine;hydrochloride?
The InChIKey is VNNPSGKGIAZTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-3-5-6-7-4-2;/h3,5,7H,4,6H2,1-2H3;1H.
What are the key properties of N-ethylbut-2-en-1-amine;hydrochloride?
N-ethylbut-2-en-1-amine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 155653042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).