4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine

C12H23N — CID 123575717

IUPAC4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
SMILESC=C(C)C(CC)/N=C(\C)CC(C)C
InChIInChI=1S/C12H23N/c1-7-12(10(4)5)13-11(6)8-9(2)3/h9,12H,4,7-8H2,1-3,5-6H3/b13-11+
InChIKeyGBWAXSWSYTUKAP-ACCUITESSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds5

About 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine

4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine (PubChem CID 123575717) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
PubChem CID123575717
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
SMILESC=C(C)C(CC)/N=C(\C)CC(C)C
InChIInChI=1S/C12H23N/c1-7-12(10(4)5)13-11(6)8-9(2)3/h9,12H,4,7-8H2,1-3,5-6H3/b13-11+
InChIKeyGBWAXSWSYTUKAP-ACCUITESSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-5-methyl-4-methylidene-N-propan-2-ylhexan-2-imine
CID 174320388
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
N,2,5-trimethyl-4-methylidenehexan-3-imine
CID 91017057
N-but-3-en-2-yl-3-methylbutan-2-imine
CID 123225179
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
CID 123459444
4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine
CID 123518939
N-(3-methylbut-3-en-2-yl)hexan-2-imine
CID 123525970
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
CID 126695537
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
N,4-dimethyl-3-methylidenepentan-2-imine
CID 129212960
2-methyl-N-propylpent-1-en-3-imine
CID 129293819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine?
The IUPAC name of 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine (CID 123575717) is 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine.
What is the SMILES notation for 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine?
The canonical SMILES for 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine is C=C(C)C(CC)/N=C(\C)CC(C)C.
What is the InChIKey of 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine?
The InChIKey is GBWAXSWSYTUKAP-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-7-12(10(4)5)13-11(6)8-9(2)3/h9,12H,4,7-8H2,1-3,5-6H3/b13-11+.
What are the key properties of 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine?
4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine is sourced from PubChem (CID 123575717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).