N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine

C8H13N — CID 142017413

IUPACN-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine
SMILESC=NC(=C)C(C)=C(C)C
InChIInChI=1S/C8H13N/c1-6(2)7(3)8(4)9-5/h4-5H2,1-3H3
InChIKeyRWYJAIOSPMMQLM-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.56
Rot. Bonds2

About N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine

N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine (PubChem CID 142017413) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine
PubChem CID142017413
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine
SMILESC=NC(=C)C(C)=C(C)C
InChIInChI=1S/C8H13N/c1-6(2)7(3)8(4)9-5/h4-5H2,1-3H3
InChIKeyRWYJAIOSPMMQLM-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.56
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-methylbuta-1,3-dien-2-yl)methanimine
CID 58825943
N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine
CID 87525876
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 89899366
N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
CID 123241614
N-(5-methylhexa-2,4-dien-2-yl)methanimine
CID 123489897
N-(6-methylhepta-1,3,5-trien-2-yl)methanimine
CID 123592729
N-(3-methylpenta-2,4-dien-2-yl)methanimine
CID 123604682
N-(5,6-dimethylhepta-2,4,6-trien-2-yl)methanimine
CID 123907280
N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine
CID 129310416
N-[(2Z,4E,5Z)-4-ethylidenehepta-2,5-dien-3-yl]methanimine
CID 132038951
N-[(2E,4Z)-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]methanimine
CID 132132261

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine?
The IUPAC name of N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine (CID 142017413) is N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine.
What is the SMILES notation for N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine?
The canonical SMILES for N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine is C=NC(=C)C(C)=C(C)C.
What is the InChIKey of N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine?
The InChIKey is RWYJAIOSPMMQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)7(3)8(4)9-5/h4-5H2,1-3H3.
What are the key properties of N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine?
N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpenta-1,3-dien-2-yl)methanimine is sourced from PubChem (CID 142017413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).