(Z)-N,2,3-trimethylhex-2-en-1-imine

C9H17N — CID 123933365

IUPAC(Z)-N,2,3-trimethylhex-2-en-1-imine
SMILESCCC/C(C)=C(C)\C=N\C
InChIInChI=1S/C9H17N/c1-5-6-8(2)9(3)7-10-4/h7H,5-6H2,1-4H3/b9-8-,10-7+
InChIKeyQNJHSBDHVIYCLB-ABGYPUNPSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds3

About (Z)-N,2,3-trimethylhex-2-en-1-imine

(Z)-N,2,3-trimethylhex-2-en-1-imine (PubChem CID 123933365) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-N,2,3-trimethylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N,2,3-trimethylhex-2-en-1-imine
PubChem CID123933365
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-N,2,3-trimethylhex-2-en-1-imine
SMILESCCC/C(C)=C(C)\C=N\C
InChIInChI=1S/C9H17N/c1-5-6-8(2)9(3)7-10-4/h7H,5-6H2,1-4H3/b9-8-,10-7+
InChIKeyQNJHSBDHVIYCLB-ABGYPUNPSA-N
XLogP2.82
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 ≤ 52.82
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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine
CID 134189409
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
N-tert-butyl-2-cyclohexylidenepropan-1-imine
CID 134889888
Dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium
CID 19849683
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
(2E)-N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
CID 60138487
5-Propyl-2,3-dihydropyridine
CID 67965940
5-Pentyl-2,3-dihydropyridine
CID 70353357
(1E)-2-Ethyl-N-(2-methylpropyl)hex-2-en-1-imine
CID 71343072
N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 72660173
N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
CID 72660192

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2,3-trimethylhex-2-en-1-imine?
The IUPAC name of (Z)-N,2,3-trimethylhex-2-en-1-imine (CID 123933365) is (Z)-N,2,3-trimethylhex-2-en-1-imine.
What is the SMILES notation for (Z)-N,2,3-trimethylhex-2-en-1-imine?
The canonical SMILES for (Z)-N,2,3-trimethylhex-2-en-1-imine is CCC/C(C)=C(C)\C=N\C.
What is the InChIKey of (Z)-N,2,3-trimethylhex-2-en-1-imine?
The InChIKey is QNJHSBDHVIYCLB-ABGYPUNPSA-N. The full InChI is InChI=1S/C9H17N/c1-5-6-8(2)9(3)7-10-4/h7H,5-6H2,1-4H3/b9-8-,10-7+.
What are the key properties of (Z)-N,2,3-trimethylhex-2-en-1-imine?
(Z)-N,2,3-trimethylhex-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2,3-trimethylhex-2-en-1-imine is sourced from PubChem (CID 123933365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).