N,N-dimethylpropa-1,2-dien-1-amine

C5H9N — CID 11400752

IUPACN,N-dimethylpropa-1,2-dien-1-amine
SMILESC=C=CN(C)C
InChIInChI=1S/C5H9N/c1-4-5-6(2)3/h5H,1H2,2-3H3
InChIKeyTWIVWIMVEFCKDV-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.85
Rot. Bonds1

About N,N-dimethylpropa-1,2-dien-1-amine

N,N-dimethylpropa-1,2-dien-1-amine (PubChem CID 11400752) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N,N-dimethylpropa-1,2-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethylpropa-1,2-dien-1-amine
PubChem CID11400752
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN,N-dimethylpropa-1,2-dien-1-amine
SMILESC=C=CN(C)C
InChIInChI=1S/C5H9N/c1-4-5-6(2)3/h5H,1H2,2-3H3
InChIKeyTWIVWIMVEFCKDV-UHFFFAOYSA-N
XLogP0.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethylpropa-1,2-dien-1-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,N-dimethylpropa-1,2-dien-1-amine?
The IUPAC name of N,N-dimethylpropa-1,2-dien-1-amine (CID 11400752) is N,N-dimethylpropa-1,2-dien-1-amine.
What is the SMILES notation for N,N-dimethylpropa-1,2-dien-1-amine?
The canonical SMILES for N,N-dimethylpropa-1,2-dien-1-amine is C=C=CN(C)C.
What is the InChIKey of N,N-dimethylpropa-1,2-dien-1-amine?
The InChIKey is TWIVWIMVEFCKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-4-5-6(2)3/h5H,1H2,2-3H3.
What are the key properties of N,N-dimethylpropa-1,2-dien-1-amine?
N,N-dimethylpropa-1,2-dien-1-amine has a molecular weight of 83.13 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropa-1,2-dien-1-amine is sourced from PubChem (CID 11400752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).