(Z)-N-ethyl-5-methylhex-3-en-2-imine

C9H17N — CID 90713903

IUPAC(Z)-N-ethyl-5-methylhex-3-en-2-imine
SMILESCC/N=C(C)/C=C\C(C)C
InChIInChI=1S/C9H17N/c1-5-10-9(4)7-6-8(2)3/h6-8H,5H2,1-4H3/b7-6-,10-9+
InChIKeyXRQRVXVGQNYMRX-IXWMQOLASA-N
MW139.24 g/mol
LogP2.68
Rot. Bonds3

About (Z)-N-ethyl-5-methylhex-3-en-2-imine

(Z)-N-ethyl-5-methylhex-3-en-2-imine (PubChem CID 90713903) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (Z)-N-ethyl-5-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-5-methylhex-3-en-2-imine
PubChem CID90713903
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(Z)-N-ethyl-5-methylhex-3-en-2-imine
SMILESCC/N=C(C)/C=C\C(C)C
InChIInChI=1S/C9H17N/c1-5-10-9(4)7-6-8(2)3/h6-8H,5H2,1-4H3/b7-6-,10-9+
InChIKeyXRQRVXVGQNYMRX-IXWMQOLASA-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'}

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Related Compounds

(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(E)-3-fluoro-N-(2-methylbutyl)pent-3-en-2-imine
CID 137538512
(Z)-1,1-difluoro-5-methyl-N-propan-2-ylhex-3-en-2-imine
CID 141694560
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
N-methylpent-3-en-2-imine
CID 15325554
3,6-Bis-sec-butylimino-cyclohexa-1,4-diene
CID 18172612
N-(4-methylpent-3-enyl)propan-2-imine
CID 20677101
5-ethenyl-3-methyl-2H-pyrrole
CID 20774315
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-5-methylhex-3-en-2-imine?
The IUPAC name of (Z)-N-ethyl-5-methylhex-3-en-2-imine (CID 90713903) is (Z)-N-ethyl-5-methylhex-3-en-2-imine.
What is the SMILES notation for (Z)-N-ethyl-5-methylhex-3-en-2-imine?
The canonical SMILES for (Z)-N-ethyl-5-methylhex-3-en-2-imine is CC/N=C(C)/C=C\C(C)C.
What is the InChIKey of (Z)-N-ethyl-5-methylhex-3-en-2-imine?
The InChIKey is XRQRVXVGQNYMRX-IXWMQOLASA-N. The full InChI is InChI=1S/C9H17N/c1-5-10-9(4)7-6-8(2)3/h6-8H,5H2,1-4H3/b7-6-,10-9+.
What are the key properties of (Z)-N-ethyl-5-methylhex-3-en-2-imine?
(Z)-N-ethyl-5-methylhex-3-en-2-imine 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 (Z)-N-ethyl-5-methylhex-3-en-2-imine is sourced from PubChem (CID 90713903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).