N-(3-methylhexa-1,5-dien-2-yl)methanimine

C8H13N — CID 129060332

IUPACN-(3-methylhexa-1,5-dien-2-yl)methanimine
SMILESC=CCC(C)C(=C)N=C
InChIInChI=1S/C8H13N/c1-5-6-7(2)8(3)9-4/h5,7H,1,3-4,6H2,2H3
InChIKeyYXOOHZJAEWWGDC-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.41
Rot. Bonds4

About N-(3-methylhexa-1,5-dien-2-yl)methanimine

N-(3-methylhexa-1,5-dien-2-yl)methanimine (PubChem CID 129060332) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(3-methylhexa-1,5-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-methylhexa-1,5-dien-2-yl)methanimine
PubChem CID129060332
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(3-methylhexa-1,5-dien-2-yl)methanimine
SMILESC=CCC(C)C(=C)N=C
InChIInChI=1S/C8H13N/c1-5-6-7(2)8(3)9-4/h5,7H,1,3-4,6H2,2H3
InChIKeyYXOOHZJAEWWGDC-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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'}

Analyze N-(3-methylhexa-1,5-dien-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylpent-1-en-2-yl)methanimine
CID 90970765
N-(5-methylhex-2-en-3-yl)methanimine
CID 123547821
N-(4-methylhepta-1,2,6-trien-3-yl)methanimine
CID 129060280
N-(3,4-dimethylpent-1-en-2-yl)methanimine
CID 142017406
N-(3-methylpent-1-en-2-yl)prop-2-en-1-imine
CID 145099755
but-1-ene;N-prop-1-en-2-ylmethanimine
CID 145474741
N-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]methanimine
CID 146337480
N-[(3E)-6-methylhepta-1,3-dien-4-yl]methanimine
CID 153247341
N-[(3Z)-6-methylhepta-1,3-dien-4-yl]methanimine
CID 153404734
N-[(3Z)-2,3-dimethylocta-3,7-dien-4-yl]methanimine
CID 155297345
N-[(3R)-3-methylpent-1-en-2-yl]methanimine
CID 163947990
N-[(4Z,6Z)-2-methylocta-4,6-dien-4-yl]methanimine
CID 169644542

Frequently Asked Questions

What is the IUPAC name of N-(3-methylhexa-1,5-dien-2-yl)methanimine?
The IUPAC name of N-(3-methylhexa-1,5-dien-2-yl)methanimine (CID 129060332) is N-(3-methylhexa-1,5-dien-2-yl)methanimine.
What is the SMILES notation for N-(3-methylhexa-1,5-dien-2-yl)methanimine?
The canonical SMILES for N-(3-methylhexa-1,5-dien-2-yl)methanimine is C=CCC(C)C(=C)N=C.
What is the InChIKey of N-(3-methylhexa-1,5-dien-2-yl)methanimine?
The InChIKey is YXOOHZJAEWWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-5-6-7(2)8(3)9-4/h5,7H,1,3-4,6H2,2H3.
What are the key properties of N-(3-methylhexa-1,5-dien-2-yl)methanimine?
N-(3-methylhexa-1,5-dien-2-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylhexa-1,5-dien-2-yl)methanimine is sourced from PubChem (CID 129060332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).