4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine

C13H25N — CID 123518939

IUPAC4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine
SMILESC=C(/C(C)=N/CCCC(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)8-7-9-14-13(6)12(5)11(3)4/h10-11H,5,7-9H2,1-4,6H3/b14-13+
InChIKeyGKDWZBVZDQKBJT-BUHFOSPRSA-N
MW195.35 g/mol
LogP4.10
Rot. Bonds6

About 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine

4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine (PubChem CID 123518939) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine.

Molecular Properties

Compound Name4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine
PubChem CID123518939
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine
SMILESC=C(/C(C)=N/CCCC(C)C)C(C)C
InChIInChI=1S/C13H25N/c1-10(2)8-7-9-14-13(6)12(5)11(3)4/h10-11H,5,7-9H2,1-4,6H3/b14-13+
InChIKeyGKDWZBVZDQKBJT-BUHFOSPRSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2,5-trimethyl-4-methylidenehexan-3-imine
CID 91017057
3,3,5-trimethyl-4-methylidene-2H-pyrrole
CID 123236228
5-Methyl-4-methylidene-2,3-dihydropyrrole
CID 123507829
4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
CID 123575717
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
Dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium
CID 123930060
4-methyl-N-pentylhepta-1,6-dien-3-imine
CID 123951338
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
CID 126695537
N,4-dimethyl-3-methylidenepentan-2-imine
CID 129212960
2-methyl-N-propylpent-1-en-3-imine
CID 129293819
3-methyl-N-(2-methylbutyl)penta-3,4-dien-2-imine
CID 130279705
N-[(E)-2-ethyl-3-methylbut-1-enyl]propan-2-imine
CID 130320550

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine?
The IUPAC name of 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine (CID 123518939) is 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine.
What is the SMILES notation for 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine?
The canonical SMILES for 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine is C=C(/C(C)=N/CCCC(C)C)C(C)C.
What is the InChIKey of 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine?
The InChIKey is GKDWZBVZDQKBJT-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)8-7-9-14-13(6)12(5)11(3)4/h10-11H,5,7-9H2,1-4,6H3/b14-13+.
What are the key properties of 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine?
4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine has a molecular weight of 195.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine is sourced from PubChem (CID 123518939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).