1-N,3-dimethylbutane-1,2-diimine

C6H12N2 — CID 123957798

IUPAC1-N,3-dimethylbutane-1,2-diimine
SMILES[H]/N=C(/C=N/C)C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)6(7)4-8-3/h4-5,7H,1-3H3/b7-6-,8-4+
InChIKeyHVHFCKALIRQMID-AKAREZBESA-N
MW112.18 g/mol
LogP1.36
Rot. Bonds2

About 1-N,3-dimethylbutane-1,2-diimine

1-N,3-dimethylbutane-1,2-diimine (PubChem CID 123957798) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-N,3-dimethylbutane-1,2-diimine.

Molecular Properties

Compound Name1-N,3-dimethylbutane-1,2-diimine
PubChem CID123957798
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-N,3-dimethylbutane-1,2-diimine
SMILES[H]/N=C(/C=N/C)C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)6(7)4-8-3/h4-5,7H,1-3H3/b7-6-,8-4+
InChIKeyHVHFCKALIRQMID-AKAREZBESA-N
XLogP1.36
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.36
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

(Z)-5-imino-6-methylhept-3-en-3-amine
CID 155718688
3-methylpentane-1,2-diimine
CID 139890655
(E)-2-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 163527626
ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
CID 169242531
(Z)-N,3-dimethyl-2-(methyliminomethyl)but-1-en-1-amine
CID 142329757
3-fluorobutane-1,2-diimine
CID 171535036
(1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine
CID 123544717
3-methylbutan-2-imine
CID 20811318
5,6-dimethylhept-2-en-4-imine
CID 123523897
2-N,5-dimethylhexane-2,4-diimine
CID 123840762
2-methylpropanimidamide;hydrochloride
CID 2782053
N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine
CID 174103699

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethylbutane-1,2-diimine?
The IUPAC name of 1-N,3-dimethylbutane-1,2-diimine (CID 123957798) is 1-N,3-dimethylbutane-1,2-diimine.
What is the SMILES notation for 1-N,3-dimethylbutane-1,2-diimine?
The canonical SMILES for 1-N,3-dimethylbutane-1,2-diimine is [H]/N=C(/C=N/C)C(C)C.
What is the InChIKey of 1-N,3-dimethylbutane-1,2-diimine?
The InChIKey is HVHFCKALIRQMID-AKAREZBESA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)6(7)4-8-3/h4-5,7H,1-3H3/b7-6-,8-4+.
What are the key properties of 1-N,3-dimethylbutane-1,2-diimine?
1-N,3-dimethylbutane-1,2-diimine has a molecular weight of 112.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethylbutane-1,2-diimine is sourced from PubChem (CID 123957798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).