3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine

C10H17N — CID 123160158

IUPAC3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine
SMILESC=C(C)C(=C)/N=C(\C)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)11-10(6)8(3)4/h8H,1,5H2,2-4,6H3/b11-10+
InChIKeySXFKOQCBZZVXGZ-ZHACJKMWSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds3

About 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine

3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine (PubChem CID 123160158) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine
PubChem CID123160158
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine
SMILESC=C(C)C(=C)/N=C(\C)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)11-10(6)8(3)4/h8H,1,5H2,2-4,6H3/b11-10+
InChIKeySXFKOQCBZZVXGZ-ZHACJKMWSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(4-methylpenta-1,3-dien-2-yl)but-3-en-2-imine
CID 123251627
3-methyl-N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]butan-2-imine
CID 123335850
N-(3-methylbut-1-en-2-yl)butan-2-imine
CID 126514287
3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine
CID 126661702
3-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]butan-2-imine
CID 126709243
N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine
CID 129067903
N-(3-methylbuta-1,3-dien-2-yl)propan-2-imine
CID 141960459
ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine
CID 142963758
3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine
CID 142963759
ethane;3-methyl-N-prop-1-en-2-ylbut-3-en-2-imine
CID 153562350
N-[(2E)-3,4-dimethylpenta-2,4-dien-2-yl]-3-methylbutan-2-imine
CID 156452729
N-but-1-en-2-yl-4-methyl-3-methylidenepentan-2-imine
CID 156641461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine?
The IUPAC name of 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine (CID 123160158) is 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine.
What is the SMILES notation for 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine?
The canonical SMILES for 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine is C=C(C)C(=C)/N=C(\C)C(C)C.
What is the InChIKey of 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine?
The InChIKey is SXFKOQCBZZVXGZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9(5)11-10(6)8(3)4/h8H,1,5H2,2-4,6H3/b11-10+.
What are the key properties of 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine?
3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbuta-1,3-dien-2-yl)butan-2-imine is sourced from PubChem (CID 123160158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).