N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine

C9H17N — CID 123688543

IUPACN-[(Z)-2,3-dimethylpent-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)C(C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)9(4)7-10-6-2/h6-8H,5H2,1-4H3/b9-7-,10-6+
InChIKeyNTZASJSBWBGPSR-ODUODFHUSA-N
MW139.24 g/mol
LogP3.03
Rot. Bonds3

About N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine

N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine (PubChem CID 123688543) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2,3-dimethylpent-1-enyl]ethanimine
PubChem CID123688543
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(Z)-2,3-dimethylpent-1-enyl]ethanimine
SMILESC/C=N/C=C(/C)C(C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)9(4)7-10-6-2/h6-8H,5H2,1-4H3/b9-7-,10-6+
InChIKeyNTZASJSBWBGPSR-ODUODFHUSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-4-fluoro-2,3-dimethylpent-1-enyl]methanimine
CID 169603742
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
4,5-Dimethyl-3,4-dihydropyridine
CID 14979272
2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141
N-propylidene-(2-ethylhexen-1-yl-amine)
CID 53884118
2-ethyl-N-(2-ethylhex-1-enyl)hexan-1-imine
CID 53891917
2-methyl-N-(2-methylpent-1-enyl)pentan-1-imine
CID 54531657
5-Methyl-4-propan-2-yl-3,4-dihydropyridine
CID 57276957
4-(2-methylpropyl)-3H-pyrrole
CID 58786990
4-butan-2-yl-3H-pyrrole
CID 58890529
3,5-Dimethyl-3,4-dihydropyridine
CID 68309692

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine (CID 123688543) is N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine is C/C=N/C=C(/C)C(C)CC.
What is the InChIKey of N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine?
The InChIKey is NTZASJSBWBGPSR-ODUODFHUSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)9(4)7-10-6-2/h6-8H,5H2,1-4H3/b9-7-,10-6+.
What are the key properties of N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine?
N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine has a molecular weight of 139.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine is sourced from PubChem (CID 123688543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).