N'-(4-methylhexyl)ethane-1,2-diimine

C9H18N2 — CID 174359205

IUPACN'-(4-methylhexyl)ethane-1,2-diimine
SMILES[H]/N=C/C=N/CCCC(C)CC
InChIInChI=1S/C9H18N2/c1-3-9(2)5-4-7-11-8-6-10/h6,8-10H,3-5,7H2,1-2H3/b10-6+,11-8+
InChIKeyRJTHYGMMYABIRZ-NSJFVGFPSA-N
MW154.26 g/mol
LogP2.53
Rot. Bonds6

About N'-(4-methylhexyl)ethane-1,2-diimine

N'-(4-methylhexyl)ethane-1,2-diimine (PubChem CID 174359205) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(4-methylhexyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN'-(4-methylhexyl)ethane-1,2-diimine
PubChem CID174359205
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(4-methylhexyl)ethane-1,2-diimine
SMILES[H]/N=C/C=N/CCCC(C)CC
InChIInChI=1S/C9H18N2/c1-3-9(2)5-4-7-11-8-6-10/h6,8-10H,3-5,7H2,1-2H3/b10-6+,11-8+
InChIKeyRJTHYGMMYABIRZ-NSJFVGFPSA-N
XLogP2.53
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(4-methylhexyl)diazene
CID 91548761
(3R,7R)-3,7-dimethylnonane
CID 42626759
(3R,6S)-3,6-dimethyldecane
CID 170848353
alumane;5-methylheptanal
CID 175597367
4,7-dimethylnonanal
CID 87290996
2,4-dimethylhexan-1-imine
CID 88882138
8-methyldec-3-ene
CID 54115614
2,11-dimethyltridec-6-ene
CID 123657363
3-methylheptane;nickel
CID 158967838
14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465
(Z)-but-2-ene;3-methylheptane
CID 155572467

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylhexyl)ethane-1,2-diimine?
The IUPAC name of N'-(4-methylhexyl)ethane-1,2-diimine (CID 174359205) is N'-(4-methylhexyl)ethane-1,2-diimine.
What is the SMILES notation for N'-(4-methylhexyl)ethane-1,2-diimine?
The canonical SMILES for N'-(4-methylhexyl)ethane-1,2-diimine is [H]/N=C/C=N/CCCC(C)CC.
What is the InChIKey of N'-(4-methylhexyl)ethane-1,2-diimine?
The InChIKey is RJTHYGMMYABIRZ-NSJFVGFPSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(2)5-4-7-11-8-6-10/h6,8-10H,3-5,7H2,1-2H3/b10-6+,11-8+.
What are the key properties of N'-(4-methylhexyl)ethane-1,2-diimine?
N'-(4-methylhexyl)ethane-1,2-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylhexyl)ethane-1,2-diimine is sourced from PubChem (CID 174359205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).