N-(2-ethenyl-3-methylpentyl)ethanimine

C10H19N — CID 91222977

IUPACN-(2-ethenyl-3-methylpentyl)ethanimine
SMILESC=CC(C/N=C/C)C(C)CC
InChIInChI=1S/C10H19N/c1-5-9(4)10(6-2)8-11-7-3/h6-7,9-10H,2,5,8H2,1,3-4H3/b11-7+
InChIKeyXKJYGJZEMYZIKG-YRNVUSSQSA-N
MW153.27 g/mol
LogP2.93
Rot. Bonds5

About N-(2-ethenyl-3-methylpentyl)ethanimine

N-(2-ethenyl-3-methylpentyl)ethanimine (PubChem CID 91222977) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(2-ethenyl-3-methylpentyl)ethanimine.

Molecular Properties

Compound NameN-(2-ethenyl-3-methylpentyl)ethanimine
PubChem CID91222977
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(2-ethenyl-3-methylpentyl)ethanimine
SMILESC=CC(C/N=C/C)C(C)CC
InChIInChI=1S/C10H19N/c1-5-9(4)10(6-2)8-11-7-3/h6-7,9-10H,2,5,8H2,1,3-4H3/b11-7+
InChIKeyXKJYGJZEMYZIKG-YRNVUSSQSA-N
XLogP2.93
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 ≤ 52.93
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

(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
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CID 88870595
3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 89063696
(2Z,7E)-N,4-dimethyl-5-[(Z)-prop-1-enyl]nona-2,7-dien-1-imine
CID 89327958
N-butyl-5-ethenyloct-7-en-1-imine
CID 89392711
2-(5-Ethenyloct-1-en-3-yl)imidazol-2-ylium
CID 90889664
2-ethyl-N,3-dimethylhex-5-en-1-imine
CID 91337610
N-(2-butan-2-ylhex-5-enyl)methanimine
CID 123155097
3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
CID 123260408
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083
N-(3-ethylpent-4-en-2-yl)-3-methylbutan-1-imine
CID 123399431
N,5,6-trimethylhept-2-en-1-imine
CID 123426551

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-3-methylpentyl)ethanimine?
The IUPAC name of N-(2-ethenyl-3-methylpentyl)ethanimine (CID 91222977) is N-(2-ethenyl-3-methylpentyl)ethanimine.
What is the SMILES notation for N-(2-ethenyl-3-methylpentyl)ethanimine?
The canonical SMILES for N-(2-ethenyl-3-methylpentyl)ethanimine is C=CC(C/N=C/C)C(C)CC.
What is the InChIKey of N-(2-ethenyl-3-methylpentyl)ethanimine?
The InChIKey is XKJYGJZEMYZIKG-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19N/c1-5-9(4)10(6-2)8-11-7-3/h6-7,9-10H,2,5,8H2,1,3-4H3/b11-7+.
What are the key properties of N-(2-ethenyl-3-methylpentyl)ethanimine?
N-(2-ethenyl-3-methylpentyl)ethanimine has a molecular weight of 153.27 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-3-methylpentyl)ethanimine is sourced from PubChem (CID 91222977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).