N,4-dimethylhex-1-en-3-imine

C8H15N — CID 123150138

IUPACN,4-dimethylhex-1-en-3-imine
SMILESC=C/C(=N\C)C(C)CC
InChIInChI=1S/C8H15N/c1-5-7(3)8(6-2)9-4/h6-7H,2,5H2,1,3-4H3/b9-8+
InChIKeyBTIFVCAIJZOLKP-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds3

About N,4-dimethylhex-1-en-3-imine

N,4-dimethylhex-1-en-3-imine (PubChem CID 123150138) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,4-dimethylhex-1-en-3-imine.

Molecular Properties

Compound NameN,4-dimethylhex-1-en-3-imine
PubChem CID123150138
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,4-dimethylhex-1-en-3-imine
SMILESC=C/C(=N\C)C(C)CC
InChIInChI=1S/C8H15N/c1-5-7(3)8(6-2)9-4/h6-7H,2,5H2,1,3-4H3/b9-8+
InChIKeyBTIFVCAIJZOLKP-CMDGGOBGSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
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

(Z)-N,2-dimethylhex-4-en-3-imine
CID 91144360
N-hexyl-4-methylpent-1-en-3-imine
CID 123163517
N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
N,3,5,5-tetramethylhept-6-en-2-imine
CID 123612758
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
N,4-dimethylhept-1-en-3-imine
CID 123647931
3-N,4-N-dimethylhex-1-ene-3,4-diimine
CID 123761009
N-(3-methylpentan-2-yl)but-3-en-2-imine
CID 123925388
(Z)-5-ethyl-N-methylhept-2-en-4-imine
CID 123937258
4-methyl-N-pentylhepta-1,6-dien-3-imine
CID 123951338
N,4-dimethylpent-1-en-3-imine
CID 123960611

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylhex-1-en-3-imine?
The IUPAC name of N,4-dimethylhex-1-en-3-imine (CID 123150138) is N,4-dimethylhex-1-en-3-imine.
What is the SMILES notation for N,4-dimethylhex-1-en-3-imine?
The canonical SMILES for N,4-dimethylhex-1-en-3-imine is C=C/C(=N\C)C(C)CC.
What is the InChIKey of N,4-dimethylhex-1-en-3-imine?
The InChIKey is BTIFVCAIJZOLKP-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(3)8(6-2)9-4/h6-7H,2,5H2,1,3-4H3/b9-8+.
What are the key properties of N,4-dimethylhex-1-en-3-imine?
N,4-dimethylhex-1-en-3-imine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylhex-1-en-3-imine is sourced from PubChem (CID 123150138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).