2-N-ethyl-5-methylhexane-2,4-diimine

C9H18N2 — CID 123963604

IUPAC2-N-ethyl-5-methylhexane-2,4-diimine
SMILES[H]/N=C(/C/C(C)=N/CC)C(C)C
InChIInChI=1S/C9H18N2/c1-5-11-8(4)6-9(10)7(2)3/h7,10H,5-6H2,1-4H3/b10-9-,11-8+
InChIKeyJQADCSBVOKIRGO-LMMFKTOUSA-N
MW154.26 g/mol
LogP2.53
Rot. Bonds4

About 2-N-ethyl-5-methylhexane-2,4-diimine

2-N-ethyl-5-methylhexane-2,4-diimine (PubChem CID 123963604) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-N-ethyl-5-methylhexane-2,4-diimine.

Molecular Properties

Compound Name2-N-ethyl-5-methylhexane-2,4-diimine
PubChem CID123963604
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-N-ethyl-5-methylhexane-2,4-diimine
SMILES[H]/N=C(/C/C(C)=N/CC)C(C)C
InChIInChI=1S/C9H18N2/c1-5-11-8(4)6-9(10)7(2)3/h7,10H,5-6H2,1-4H3/b10-9-,11-8+
InChIKeyJQADCSBVOKIRGO-LMMFKTOUSA-N
XLogP2.53
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-dimethylhexane-2,4-diimine
CID 123840762
(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide
CID 176540922
2-N-ethyl-4-methylpent-4-ene-2,3-diimine
CID 123769443
2,6-dimethylnonan-3-imine
CID 146181294
4,6-diimino-N-methylheptan-3-amine
CID 123227911
4,5-dimethylhexan-3-imine
CID 123589551
N'-ethyl-N-propan-2-ylethanimidamide
CID 21064634
5-methylhexane-1,4-diimine
CID 156550679
3-methylbutan-2-imine
CID 20811318
3-ethylpentan-2-imine
CID 91583168
2-methyl-6-trimethylsilylhexan-3-imine
CID 174068810
3-methyl-1-phenylbutan-2-imine
CID 54004198

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methylhexane-2,4-diimine?
The IUPAC name of 2-N-ethyl-5-methylhexane-2,4-diimine (CID 123963604) is 2-N-ethyl-5-methylhexane-2,4-diimine.
What is the SMILES notation for 2-N-ethyl-5-methylhexane-2,4-diimine?
The canonical SMILES for 2-N-ethyl-5-methylhexane-2,4-diimine is [H]/N=C(/C/C(C)=N/CC)C(C)C.
What is the InChIKey of 2-N-ethyl-5-methylhexane-2,4-diimine?
The InChIKey is JQADCSBVOKIRGO-LMMFKTOUSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-11-8(4)6-9(10)7(2)3/h7,10H,5-6H2,1-4H3/b10-9-,11-8+.
What are the key properties of 2-N-ethyl-5-methylhexane-2,4-diimine?
2-N-ethyl-5-methylhexane-2,4-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methylhexane-2,4-diimine is sourced from PubChem (CID 123963604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).