N-methylbut-3-en-2-amine;hydrochloride

C5H12ClN — CID 75525004

IUPACN-methylbut-3-en-2-amine;hydrochloride
SMILESC=CC(C)NC.Cl
InChIInChI=1S/C5H11N.ClH/c1-4-5(2)6-3;/h4-6H,1H2,2-3H3;1H
InChIKeyVPOOODAACUUBNA-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.20
Rot. Bonds2

About N-methylbut-3-en-2-amine;hydrochloride

N-methylbut-3-en-2-amine;hydrochloride (PubChem CID 75525004) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is N-methylbut-3-en-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methylbut-3-en-2-amine;hydrochloride
PubChem CID75525004
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC NameN-methylbut-3-en-2-amine;hydrochloride
SMILESC=CC(C)NC.Cl
InChIInChI=1S/C5H11N.ClH/c1-4-5(2)6-3;/h4-6H,1H2,2-3H3;1H
InChIKeyVPOOODAACUUBNA-UHFFFAOYSA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylbut-3-en-2-amine;hydrochloride?
The IUPAC name of N-methylbut-3-en-2-amine;hydrochloride (CID 75525004) is N-methylbut-3-en-2-amine;hydrochloride.
What is the SMILES notation for N-methylbut-3-en-2-amine;hydrochloride?
The canonical SMILES for N-methylbut-3-en-2-amine;hydrochloride is C=CC(C)NC.Cl.
What is the InChIKey of N-methylbut-3-en-2-amine;hydrochloride?
The InChIKey is VPOOODAACUUBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-4-5(2)6-3;/h4-6H,1H2,2-3H3;1H.
What are the key properties of N-methylbut-3-en-2-amine;hydrochloride?
N-methylbut-3-en-2-amine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-3-en-2-amine;hydrochloride is sourced from PubChem (CID 75525004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).