N-(4,5-dimethylhept-1-en-3-yl)methanimine

C10H19N — CID 91132853

IUPACN-(4,5-dimethylhept-1-en-3-yl)methanimine
SMILESC=CC(N=C)C(C)C(C)CC
InChIInChI=1S/C10H19N/c1-6-8(3)9(4)10(7-2)11-5/h7-10H,2,5-6H2,1,3-4H3
InChIKeySSQCSWRRAHQBFJ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.92
Rot. Bonds5

About N-(4,5-dimethylhept-1-en-3-yl)methanimine

N-(4,5-dimethylhept-1-en-3-yl)methanimine (PubChem CID 91132853) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(4,5-dimethylhept-1-en-3-yl)methanimine.

Molecular Properties

Compound NameN-(4,5-dimethylhept-1-en-3-yl)methanimine
PubChem CID91132853
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(4,5-dimethylhept-1-en-3-yl)methanimine
SMILESC=CC(N=C)C(C)C(C)CC
InChIInChI=1S/C10H19N/c1-6-8(3)9(4)10(7-2)11-5/h7-10H,2,5-6H2,1,3-4H3
InChIKeySSQCSWRRAHQBFJ-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.92
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-(1-cyclohexylprop-2-enyl)methanimine
CID 70547806
N-(2-butan-2-ylhex-5-enyl)methanimine
CID 123155097
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
N-[(Z)-4-methylnon-7-en-3-yl]methanimine
CID 134448807
N-(3,6-dimethylhept-1-en-3-yl)methanimine
CID 142048327
N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine
CID 142464992
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)methanimine
CID 156063394
N-(2,3-dimethylhex-5-enyl)methanimine
CID 163461690
N-[(2R)-3,4-dimethylhex-5-en-2-yl]methanimine
CID 163638396
N-(4-methylhex-5-en-2-yl)methanimine
CID 163872435
N-(6-ethylcyclohex-2-en-1-yl)methanimine
CID 163879657
N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine
CID 163891853

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylhept-1-en-3-yl)methanimine?
The IUPAC name of N-(4,5-dimethylhept-1-en-3-yl)methanimine (CID 91132853) is N-(4,5-dimethylhept-1-en-3-yl)methanimine.
What is the SMILES notation for N-(4,5-dimethylhept-1-en-3-yl)methanimine?
The canonical SMILES for N-(4,5-dimethylhept-1-en-3-yl)methanimine is C=CC(N=C)C(C)C(C)CC.
What is the InChIKey of N-(4,5-dimethylhept-1-en-3-yl)methanimine?
The InChIKey is SSQCSWRRAHQBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8(3)9(4)10(7-2)11-5/h7-10H,2,5-6H2,1,3-4H3.
What are the key properties of N-(4,5-dimethylhept-1-en-3-yl)methanimine?
N-(4,5-dimethylhept-1-en-3-yl)methanimine has a molecular weight of 153.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylhept-1-en-3-yl)methanimine is sourced from PubChem (CID 91132853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).