N-(2,4-dimethylpent-4-enyl)methanimine

C8H15N — CID 143707443

IUPACN-(2,4-dimethylpent-4-enyl)methanimine
SMILESC=NCC(C)CC(=C)C
InChIInChI=1S/C8H15N/c1-7(2)5-8(3)6-9-4/h8H,1,4-6H2,2-3H3
InChIKeyZKTWTBMHTOOZSC-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds4

About N-(2,4-dimethylpent-4-enyl)methanimine

N-(2,4-dimethylpent-4-enyl)methanimine (PubChem CID 143707443) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(2,4-dimethylpent-4-enyl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylpent-4-enyl)methanimine
PubChem CID143707443
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(2,4-dimethylpent-4-enyl)methanimine
SMILESC=NCC(C)CC(=C)C
InChIInChI=1S/C8H15N/c1-7(2)5-8(3)6-9-4/h8H,1,4-6H2,2-3H3
InChIKeyZKTWTBMHTOOZSC-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
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

N-(3-methyl-2-methylidenepentyl)methanimine
CID 22946739
N-(2-methylidenehexyl)methanimine
CID 89785528
N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
N-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 123326935
N-(3-methylhex-5-enyl)methanimine
CID 123500890
N-(2,4-dimethylpent-4-enyl)methanimine;ethane
CID 143707442
N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]methanimine
CID 144871850
N-(3-methylidenepentyl)methanimine
CID 148822396
N-(2,3-dimethylbut-3-enyl)methanimine
CID 148823197
N-[(Z)-2,4-dimethyl-3-methylidenepent-1-enyl]methanimine
CID 153572527
N-(2,8-dimethylnon-8-enyl)methanimine
CID 155202486
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)methanimine
CID 156063394

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpent-4-enyl)methanimine?
The IUPAC name of N-(2,4-dimethylpent-4-enyl)methanimine (CID 143707443) is N-(2,4-dimethylpent-4-enyl)methanimine.
What is the SMILES notation for N-(2,4-dimethylpent-4-enyl)methanimine?
The canonical SMILES for N-(2,4-dimethylpent-4-enyl)methanimine is C=NCC(C)CC(=C)C.
What is the InChIKey of N-(2,4-dimethylpent-4-enyl)methanimine?
The InChIKey is ZKTWTBMHTOOZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)5-8(3)6-9-4/h8H,1,4-6H2,2-3H3.
What are the key properties of N-(2,4-dimethylpent-4-enyl)methanimine?
N-(2,4-dimethylpent-4-enyl)methanimine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpent-4-enyl)methanimine is sourced from PubChem (CID 143707443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).