3-N-methylbutane-2,3-diimine

C5H10N2 — CID 58796730

IUPAC3-N-methylbutane-2,3-diimine
SMILES[H]/N=C(C)/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-4(6)5(2)7-3/h6H,1-3H3/b6-4+,7-5+
InChIKeyGZJJANJCRZOBNU-YDFGWWAZSA-N
MW98.15 g/mol
LogP1.12
Rot. Bonds1

About 3-N-methylbutane-2,3-diimine

3-N-methylbutane-2,3-diimine (PubChem CID 58796730) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-N-methylbutane-2,3-diimine.

Molecular Properties

Compound Name3-N-methylbutane-2,3-diimine
PubChem CID58796730
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-N-methylbutane-2,3-diimine
SMILES[H]/N=C(C)/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-4(6)5(2)7-3/h6H,1-3H3/b6-4+,7-5+
InChIKeyGZJJANJCRZOBNU-YDFGWWAZSA-N
XLogP1.12
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
CID 176658688
3-N-(methylideneamino)butane-2,3-diimine
CID 90371214
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
N-(9-hydroxyimino-2,10-diiminoundecan-3-ylidene)hydroxylamine
CID 136643011
2-iminopropanimidamide
CID 174066114
3-iminobutan-2-one;hydrochloride
CID 91594122
3,4,4-trifluorobut-3-en-2-imine
CID 58488810
3-N-[(E)-2-(4-methylphenyl)prop-1-enyl]butane-2,3-diimine
CID 91216554
(Z)-4-iminopent-2-en-3-amine
CID 147180053
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
2,3-diiminobutan-1-amine
CID 123340860
2-N,5-dimethylhexane-2,4-diimine
CID 123840762

Frequently Asked Questions

What is the IUPAC name of 3-N-methylbutane-2,3-diimine?
The IUPAC name of 3-N-methylbutane-2,3-diimine (CID 58796730) is 3-N-methylbutane-2,3-diimine.
What is the SMILES notation for 3-N-methylbutane-2,3-diimine?
The canonical SMILES for 3-N-methylbutane-2,3-diimine is [H]/N=C(C)/C(C)=N/C.
What is the InChIKey of 3-N-methylbutane-2,3-diimine?
The InChIKey is GZJJANJCRZOBNU-YDFGWWAZSA-N. The full InChI is InChI=1S/C5H10N2/c1-4(6)5(2)7-3/h6H,1-3H3/b6-4+,7-5+.
What are the key properties of 3-N-methylbutane-2,3-diimine?
3-N-methylbutane-2,3-diimine has a molecular weight of 98.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methylbutane-2,3-diimine is sourced from PubChem (CID 58796730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).