N-ethenyl-N,2,2-trimethylbutan-1-amine

C9H19N — CID 91000500

IUPACN-ethenyl-N,2,2-trimethylbutan-1-amine
SMILESC=CN(C)CC(C)(C)CC
InChIInChI=1S/C9H19N/c1-6-9(3,4)8-10(5)7-2/h7H,2,6,8H2,1,3-5H3
InChIKeyCHFJTQVNSHEYAB-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.50
Rot. Bonds4

About N-ethenyl-N,2,2-trimethylbutan-1-amine

N-ethenyl-N,2,2-trimethylbutan-1-amine (PubChem CID 91000500) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-ethenyl-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-N,2,2-trimethylbutan-1-amine
PubChem CID91000500
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-ethenyl-N,2,2-trimethylbutan-1-amine
SMILESC=CN(C)CC(C)(C)CC
InChIInChI=1S/C9H19N/c1-6-9(3,4)8-10(5)7-2/h7H,2,6,8H2,1,3-5H3
InChIKeyCHFJTQVNSHEYAB-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethenyl-N,2,2-trimethylbutan-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-ethenyl-N,2,2-trimethylbutan-1-amine?
The IUPAC name of N-ethenyl-N,2,2-trimethylbutan-1-amine (CID 91000500) is N-ethenyl-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for N-ethenyl-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for N-ethenyl-N,2,2-trimethylbutan-1-amine is C=CN(C)CC(C)(C)CC.
What is the InChIKey of N-ethenyl-N,2,2-trimethylbutan-1-amine?
The InChIKey is CHFJTQVNSHEYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-9(3,4)8-10(5)7-2/h7H,2,6,8H2,1,3-5H3.
What are the key properties of N-ethenyl-N,2,2-trimethylbutan-1-amine?
N-ethenyl-N,2,2-trimethylbutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 91000500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).