N,4-dimethylhex-3-en-2-imine

C8H15N — CID 91494846

IUPACN,4-dimethylhex-3-en-2-imine
SMILESCCC(C)=C/C(C)=N/C
InChIInChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h6H,5H2,1-4H3/b7-6?,9-8+
InChIKeyYFBYVTGWJLNLQX-ANYPYVPJSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds2

About N,4-dimethylhex-3-en-2-imine

N,4-dimethylhex-3-en-2-imine (PubChem CID 91494846) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,4-dimethylhex-3-en-2-imine.

Molecular Properties

Compound NameN,4-dimethylhex-3-en-2-imine
PubChem CID91494846
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,4-dimethylhex-3-en-2-imine
SMILESCCC(C)=C/C(C)=N/C
InChIInChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h6H,5H2,1-4H3/b7-6?,9-8+
InChIKeyYFBYVTGWJLNLQX-ANYPYVPJSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
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

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430
(E)-4-fluoro-N-methylhex-3-en-2-imine
CID 144488942

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylhex-3-en-2-imine?
The IUPAC name of N,4-dimethylhex-3-en-2-imine (CID 91494846) is N,4-dimethylhex-3-en-2-imine.
What is the SMILES notation for N,4-dimethylhex-3-en-2-imine?
The canonical SMILES for N,4-dimethylhex-3-en-2-imine is CCC(C)=C/C(C)=N/C.
What is the InChIKey of N,4-dimethylhex-3-en-2-imine?
The InChIKey is YFBYVTGWJLNLQX-ANYPYVPJSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h6H,5H2,1-4H3/b7-6?,9-8+.
What are the key properties of N,4-dimethylhex-3-en-2-imine?
N,4-dimethylhex-3-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylhex-3-en-2-imine is sourced from PubChem (CID 91494846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).