3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine

C10H19N — CID 67948027

IUPAC3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine
SMILESCC(C)=CCNCC=C(C)C
InChIInChI=1S/C10H19N/c1-9(2)5-7-11-8-6-10(3)4/h5-6,11H,7-8H2,1-4H3
InChIKeyFSYMDEKUCFQLEN-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine

3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine (PubChem CID 67948027) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine
PubChem CID67948027
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine
SMILESCC(C)=CCNCC=C(C)C
InChIInChI=1S/C10H19N/c1-9(2)5-7-11-8-6-10(3)4/h5-6,11H,7-8H2,1-4H3
InChIKeyFSYMDEKUCFQLEN-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(3-methylbut-2-enyl)but-2-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 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine (CID 67948027) is 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine is CC(C)=CCNCC=C(C)C.
What is the InChIKey of 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine?
The InChIKey is FSYMDEKUCFQLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)5-7-11-8-6-10(3)4/h5-6,11H,7-8H2,1-4H3.
What are the key properties of 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine?
3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine is sourced from PubChem (CID 67948027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).