N,2-dimethylbut-3-en-1-amine;hydrochloride

C6H14ClN — CID 75525861

IUPACN,2-dimethylbut-3-en-1-amine;hydrochloride
SMILESC=CC(C)CNC.Cl
InChIInChI=1S/C6H13N.ClH/c1-4-6(2)5-7-3;/h4,6-7H,1,5H2,2-3H3;1H
InChIKeyFKIVEAVPRSVILC-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.45
Rot. Bonds3

About N,2-dimethylbut-3-en-1-amine;hydrochloride

N,2-dimethylbut-3-en-1-amine;hydrochloride (PubChem CID 75525861) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is N,2-dimethylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,2-dimethylbut-3-en-1-amine;hydrochloride
PubChem CID75525861
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC NameN,2-dimethylbut-3-en-1-amine;hydrochloride
SMILESC=CC(C)CNC.Cl
InChIInChI=1S/C6H13N.ClH/c1-4-6(2)5-7-3;/h4,6-7H,1,5H2,2-3H3;1H
InChIKeyFKIVEAVPRSVILC-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2-dimethylbut-3-en-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylbut-3-en-1-amine;hydrochloride?
The IUPAC name of N,2-dimethylbut-3-en-1-amine;hydrochloride (CID 75525861) is N,2-dimethylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for N,2-dimethylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for N,2-dimethylbut-3-en-1-amine;hydrochloride is C=CC(C)CNC.Cl.
What is the InChIKey of N,2-dimethylbut-3-en-1-amine;hydrochloride?
The InChIKey is FKIVEAVPRSVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-4-6(2)5-7-3;/h4,6-7H,1,5H2,2-3H3;1H.
What are the key properties of N,2-dimethylbut-3-en-1-amine;hydrochloride?
N,2-dimethylbut-3-en-1-amine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 75525861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).