N-(4-methyl-3-methylidenepent-4-enyl)methanimine

C8H13N — CID 123326935

IUPACN-(4-methyl-3-methylidenepent-4-enyl)methanimine
SMILESC=NCCC(=C)C(=C)C
InChIInChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h1,3-6H2,2H3
InChIKeyKBHZDWWICFYSAT-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds4

About N-(4-methyl-3-methylidenepent-4-enyl)methanimine

N-(4-methyl-3-methylidenepent-4-enyl)methanimine (PubChem CID 123326935) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(4-methyl-3-methylidenepent-4-enyl)methanimine.

Molecular Properties

Compound NameN-(4-methyl-3-methylidenepent-4-enyl)methanimine
PubChem CID123326935
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(4-methyl-3-methylidenepent-4-enyl)methanimine
SMILESC=NCCC(=C)C(=C)C
InChIInChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h1,3-6H2,2H3
InChIKeyKBHZDWWICFYSAT-UHFFFAOYSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
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'}

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Related Compounds

N-(3-methyl-2-methylidenepentyl)methanimine
CID 22946739
N-(2-methylidenehexyl)methanimine
CID 89785528
N-(6-methyl-5-methylidenehept-6-enyl)methanimine
CID 91160163
N-(4-methylidenehexan-2-yl)methanimine
CID 123941646
N-[(Z)-2-prop-1-en-2-ylpent-1-enyl]methanimine
CID 142132563
N-(4-methylpent-4-en-2-yl)methanimine
CID 142835596
N-(2,4-dimethylpent-4-enyl)methanimine;ethane
CID 143707442
(E)-1-fluoroprop-1-ene;N-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 144022211
N-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]methanimine
CID 144366796
N-(3-methylidenepentyl)methanimine
CID 148822396
N-[(1Z)-2,4-dimethyl-3-methylidenepenta-1,4-dienyl]methanimine;molecular hydrogen
CID 153635203
N-(2-ethenylidenepentyl)methanimine
CID 163894236

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-methylidenepent-4-enyl)methanimine?
The IUPAC name of N-(4-methyl-3-methylidenepent-4-enyl)methanimine (CID 123326935) is N-(4-methyl-3-methylidenepent-4-enyl)methanimine.
What is the SMILES notation for N-(4-methyl-3-methylidenepent-4-enyl)methanimine?
The canonical SMILES for N-(4-methyl-3-methylidenepent-4-enyl)methanimine is C=NCCC(=C)C(=C)C.
What is the InChIKey of N-(4-methyl-3-methylidenepent-4-enyl)methanimine?
The InChIKey is KBHZDWWICFYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h1,3-6H2,2H3.
What are the key properties of N-(4-methyl-3-methylidenepent-4-enyl)methanimine?
N-(4-methyl-3-methylidenepent-4-enyl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-methylidenepent-4-enyl)methanimine is sourced from PubChem (CID 123326935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).