N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine

C9H16N2 — CID 91164354

IUPACN-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine
SMILESC/N=C/C=N/C=C/CC(C)C
InChIInChI=1S/C9H16N2/c1-9(2)5-4-6-11-8-7-10-3/h4,6-9H,5H2,1-3H3/b6-4+,10-7+,11-8+
InChIKeyCFPCNDFGQCMTDW-UGBLYBQYSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine

N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine (PubChem CID 91164354) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine
PubChem CID91164354
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine
SMILESC/N=C/C=N/C=C/CC(C)C
InChIInChI=1S/C9H16N2/c1-9(2)5-4-6-11-8-7-10-3/h4,6-9H,5H2,1-3H3/b6-4+,10-7+,11-8+
InChIKeyCFPCNDFGQCMTDW-UGBLYBQYSA-N
XLogP2.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine
CID 167254337
2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
CID 170076014
4-Azanonatriene
CID 129782426
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
4-Methyl-3,4-dihydropyridine
CID 14979260
3-Methyl-3,4-dihydropyridine
CID 14979268
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
3,4-Dimethyl-3,4-dihydropyridine
CID 22965950
N-hept-1-enyl-2-methylpropan-1-imine
CID 53800476
N-pent-1-enylpentan-1-imine
CID 53963202
N-hex-1-enylethanimine
CID 54367457

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine?
The IUPAC name of N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine (CID 91164354) is N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine?
The canonical SMILES for N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine is C/N=C/C=N/C=C/CC(C)C.
What is the InChIKey of N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine?
The InChIKey is CFPCNDFGQCMTDW-UGBLYBQYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)5-4-6-11-8-7-10-3/h4,6-9H,5H2,1-3H3/b6-4+,10-7+,11-8+.
What are the key properties of N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine?
N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 91164354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).