N-(2,3-dimethylpent-3-enyl)ethanimine

C9H17N — CID 123491658

IUPACN-(2,3-dimethylpent-3-enyl)ethanimine
SMILESCC=C(C)C(C)C/N=C/C
InChIInChI=1S/C9H17N/c1-5-8(3)9(4)7-10-6-2/h5-6,9H,7H2,1-4H3/b8-5?,10-6+
InChIKeySWCFIRGMKHDYIF-QAMTZMKGSA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds3

About N-(2,3-dimethylpent-3-enyl)ethanimine

N-(2,3-dimethylpent-3-enyl)ethanimine (PubChem CID 123491658) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(2,3-dimethylpent-3-enyl)ethanimine.

Molecular Properties

Compound NameN-(2,3-dimethylpent-3-enyl)ethanimine
PubChem CID123491658
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(2,3-dimethylpent-3-enyl)ethanimine
SMILESCC=C(C)C(C)C/N=C/C
InChIInChI=1S/C9H17N/c1-5-8(3)9(4)7-10-6-2/h5-6,9H,7H2,1-4H3/b8-5?,10-6+
InChIKeySWCFIRGMKHDYIF-QAMTZMKGSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.68
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

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine
CID 167199959
(E)-N-ethyl-3,4,4-trimethylpent-2-en-1-imine
CID 14919831
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
3,5-Diethyl-2,5-dihydropyridine
CID 57046703
3,4-Dimethyl-2,3-dihydropyridine
CID 57300040
5-Propan-2-yl-2,3-dihydropyridine
CID 59752208
3-propan-2-yl-2H-pyrrole
CID 60133095
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
(2E,4E)-N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 60138488

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylpent-3-enyl)ethanimine?
The IUPAC name of N-(2,3-dimethylpent-3-enyl)ethanimine (CID 123491658) is N-(2,3-dimethylpent-3-enyl)ethanimine.
What is the SMILES notation for N-(2,3-dimethylpent-3-enyl)ethanimine?
The canonical SMILES for N-(2,3-dimethylpent-3-enyl)ethanimine is CC=C(C)C(C)C/N=C/C.
What is the InChIKey of N-(2,3-dimethylpent-3-enyl)ethanimine?
The InChIKey is SWCFIRGMKHDYIF-QAMTZMKGSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)9(4)7-10-6-2/h5-6,9H,7H2,1-4H3/b8-5?,10-6+.
What are the key properties of N-(2,3-dimethylpent-3-enyl)ethanimine?
N-(2,3-dimethylpent-3-enyl)ethanimine has a molecular weight of 139.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylpent-3-enyl)ethanimine is sourced from PubChem (CID 123491658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).