2-tert-butyl-N-methylbut-3-en-1-amine

C9H19N — CID 134342155

IUPAC2-tert-butyl-N-methylbut-3-en-1-amine
SMILESC=CC(CNC)C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-8(7-10-5)9(2,3)4/h6,8,10H,1,7H2,2-5H3
InChIKeyHZHZLIBKHSBBOE-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.05
Rot. Bonds3

About 2-tert-butyl-N-methylbut-3-en-1-amine

2-tert-butyl-N-methylbut-3-en-1-amine (PubChem CID 134342155) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-tert-butyl-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methylbut-3-en-1-amine
PubChem CID134342155
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-tert-butyl-N-methylbut-3-en-1-amine
SMILESC=CC(CNC)C(C)(C)C
InChIInChI=1S/C9H19N/c1-6-8(7-10-5)9(2,3)4/h6,8,10H,1,7H2,2-5H3
InChIKeyHZHZLIBKHSBBOE-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-N-methylbut-3-en-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 2-tert-butyl-N-methylbut-3-en-1-amine?
The IUPAC name of 2-tert-butyl-N-methylbut-3-en-1-amine (CID 134342155) is 2-tert-butyl-N-methylbut-3-en-1-amine.
What is the SMILES notation for 2-tert-butyl-N-methylbut-3-en-1-amine?
The canonical SMILES for 2-tert-butyl-N-methylbut-3-en-1-amine is C=CC(CNC)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-methylbut-3-en-1-amine?
The InChIKey is HZHZLIBKHSBBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-8(7-10-5)9(2,3)4/h6,8,10H,1,7H2,2-5H3.
What are the key properties of 2-tert-butyl-N-methylbut-3-en-1-amine?
2-tert-butyl-N-methylbut-3-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methylbut-3-en-1-amine is sourced from PubChem (CID 134342155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).