N-(2-ethylhept-4-enyl)methanimine

C10H19N — CID 123472192

IUPACN-(2-ethylhept-4-enyl)methanimine
SMILESC=NCC(CC)CC=CCC
InChIInChI=1S/C10H19N/c1-4-6-7-8-10(5-2)9-11-3/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyLDLBLHQMVHSLJD-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds6

About N-(2-ethylhept-4-enyl)methanimine

N-(2-ethylhept-4-enyl)methanimine (PubChem CID 123472192) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(2-ethylhept-4-enyl)methanimine.

Molecular Properties

Compound NameN-(2-ethylhept-4-enyl)methanimine
PubChem CID123472192
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(2-ethylhept-4-enyl)methanimine
SMILESC=NCC(CC)CC=CCC
InChIInChI=1S/C10H19N/c1-4-6-7-8-10(5-2)9-11-3/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyLDLBLHQMVHSLJD-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
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-ethylidene-5-methylhexyl)methanimine
CID 90954113
N-(2-ethylpent-3-enyl)methanimine
CID 90982818
N-[(E)-3-methyloct-4-enyl]ethanimine
CID 117710360
N-(6-prop-1-enylcyclohex-3-en-1-yl)methanimine
CID 123299402
N-(5-methylhex-2-enyl)methanimine
CID 123304399
N-(4-methyl-2-propan-2-ylpent-2-enyl)methanimine
CID 123314902
N-(3,8-dimethylnon-7-enyl)methanimine
CID 123415175
N-(5-methylhept-2-enyl)methanimine
CID 123496528
N-(3-methylhex-5-enyl)methanimine
CID 123500890
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
N-(2-ethylpent-4-enyl)methanimine
CID 123799673
N-(2-propylhept-3-enyl)ethanimine
CID 123914768

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhept-4-enyl)methanimine?
The IUPAC name of N-(2-ethylhept-4-enyl)methanimine (CID 123472192) is N-(2-ethylhept-4-enyl)methanimine.
What is the SMILES notation for N-(2-ethylhept-4-enyl)methanimine?
The canonical SMILES for N-(2-ethylhept-4-enyl)methanimine is C=NCC(CC)CC=CCC.
What is the InChIKey of N-(2-ethylhept-4-enyl)methanimine?
The InChIKey is LDLBLHQMVHSLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-7-8-10(5-2)9-11-3/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of N-(2-ethylhept-4-enyl)methanimine?
N-(2-ethylhept-4-enyl)methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhept-4-enyl)methanimine is sourced from PubChem (CID 123472192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).