N-(3-methylpenta-1,4-dienyl)methanimine

C7H11N — CID 91021953

IUPACN-(3-methylpenta-1,4-dienyl)methanimine
SMILESC=CC(C)C=CN=C
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h4-7H,1,3H2,2H3
InChIKeyIXHBKKLXAPTNKJ-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.02
Rot. Bonds3

About N-(3-methylpenta-1,4-dienyl)methanimine

N-(3-methylpenta-1,4-dienyl)methanimine (PubChem CID 91021953) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-(3-methylpenta-1,4-dienyl)methanimine.

Molecular Properties

Compound NameN-(3-methylpenta-1,4-dienyl)methanimine
PubChem CID91021953
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-(3-methylpenta-1,4-dienyl)methanimine
SMILESC=CC(C)C=CN=C
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h4-7H,1,3H2,2H3
InChIKeyIXHBKKLXAPTNKJ-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.02
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

Isoamylene isothiocyanate
CID 76311895
N-[(Z)-4-fluoropent-1-enyl]methanimine
CID 163859458
(E)-1-isocyanato-3-methylbut-1-ene
CID 12573463
N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
(E)-1-isocyano-3-methylbut-1-ene
CID 21129354
N-[(E)-but-1-enyl]methanimine
CID 21348938
N-(3-methylbut-1-enyl)methanimine
CID 23558826
1-Isocyanato-3-methylbut-1-ene
CID 53753147
[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium
CID 58794233
(Z)-1-isocyano-3-methylbut-1-ene
CID 59071334
1-Isocyano-3-methylbut-1-ene
CID 72507063
N-but-1-enylmethanimine
CID 73782489

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpenta-1,4-dienyl)methanimine?
The IUPAC name of N-(3-methylpenta-1,4-dienyl)methanimine (CID 91021953) is N-(3-methylpenta-1,4-dienyl)methanimine.
What is the SMILES notation for N-(3-methylpenta-1,4-dienyl)methanimine?
The canonical SMILES for N-(3-methylpenta-1,4-dienyl)methanimine is C=CC(C)C=CN=C.
What is the InChIKey of N-(3-methylpenta-1,4-dienyl)methanimine?
The InChIKey is IXHBKKLXAPTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h4-7H,1,3H2,2H3.
What are the key properties of N-(3-methylpenta-1,4-dienyl)methanimine?
N-(3-methylpenta-1,4-dienyl)methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpenta-1,4-dienyl)methanimine is sourced from PubChem (CID 91021953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).