N,3-dimethylbut-2-en-2-amine

C6H13N — CID 22393525

IUPACN,3-dimethylbut-2-en-2-amine
SMILESCNC(C)=C(C)C
InChIInChI=1S/C6H13N/c1-5(2)6(3)7-4/h7H,1-4H3
InChIKeyPGMXNQLEPYDQBA-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.52
Rot. Bonds1

About N,3-dimethylbut-2-en-2-amine

N,3-dimethylbut-2-en-2-amine (PubChem CID 22393525) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N,3-dimethylbut-2-en-2-amine.

Molecular Properties

Compound NameN,3-dimethylbut-2-en-2-amine
PubChem CID22393525
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN,3-dimethylbut-2-en-2-amine
SMILESCNC(C)=C(C)C
InChIInChI=1S/C6H13N/c1-5(2)6(3)7-4/h7H,1-4H3
InChIKeyPGMXNQLEPYDQBA-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,3-dimethylbut-2-en-2-amine 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,3-dimethylbut-2-en-2-amine?
The IUPAC name of N,3-dimethylbut-2-en-2-amine (CID 22393525) is N,3-dimethylbut-2-en-2-amine.
What is the SMILES notation for N,3-dimethylbut-2-en-2-amine?
The canonical SMILES for N,3-dimethylbut-2-en-2-amine is CNC(C)=C(C)C.
What is the InChIKey of N,3-dimethylbut-2-en-2-amine?
The InChIKey is PGMXNQLEPYDQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5(2)6(3)7-4/h7H,1-4H3.
What are the key properties of N,3-dimethylbut-2-en-2-amine?
N,3-dimethylbut-2-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-en-2-amine is sourced from PubChem (CID 22393525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).