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

C9H22N2 — CID 171517799

IUPACN,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
SMILESCN(C)C.CNC(C)=C(C)C
InChIInChI=1S/C6H13N.C3H9N/c1-5(2)6(3)7-4;1-4(2)3/h7H,1-4H3;1-3H3
InChIKeySOJCPIGQLXSDCV-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.70
Rot. Bonds1

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

N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine (PubChem CID 171517799) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine.

Molecular Properties

Compound NameN,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
PubChem CID171517799
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
SMILESCN(C)C.CNC(C)=C(C)C
InChIInChI=1S/C6H13N.C3H9N/c1-5(2)6(3)7-4;1-4(2)3/h7H,1-4H3;1-3H3
InChIKeySOJCPIGQLXSDCV-UHFFFAOYSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine 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;N,N-dimethylmethanamine?
The IUPAC name of N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine (CID 171517799) is N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine.
What is the SMILES notation for N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine?
The canonical SMILES for N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine is CN(C)C.CNC(C)=C(C)C.
What is the InChIKey of N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine?
The InChIKey is SOJCPIGQLXSDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H9N/c1-5(2)6(3)7-4;1-4(2)3/h7H,1-4H3;1-3H3.
What are the key properties of N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine?
N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine has a molecular weight of 158.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine is sourced from PubChem (CID 171517799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).