3-methyl-2-N-propan-2-ylbutane-1,2-diimine

C8H16N2 — CID 126601758

IUPAC3-methyl-2-N-propan-2-ylbutane-1,2-diimine
SMILES[H]/N=C/C(=N/C(C)C)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-9)10-7(3)4/h5-7,9H,1-4H3/b9-5+,10-8-
InChIKeyWFCJRMMJHMAEOI-SXIMUEDZSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds3

About 3-methyl-2-N-propan-2-ylbutane-1,2-diimine

3-methyl-2-N-propan-2-ylbutane-1,2-diimine (PubChem CID 126601758) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-2-N-propan-2-ylbutane-1,2-diimine.

Molecular Properties

Compound Name3-methyl-2-N-propan-2-ylbutane-1,2-diimine
PubChem CID126601758
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-2-N-propan-2-ylbutane-1,2-diimine
SMILES[H]/N=C/C(=N/C(C)C)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-9)10-7(3)4/h5-7,9H,1-4H3/b9-5+,10-8-
InChIKeyWFCJRMMJHMAEOI-SXIMUEDZSA-N
XLogP2.14
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.14
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-propan-2-ylbutane-1,2-diimine
CID 123596480
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
3-amino-1-iminobutan-2-one
CID 174343794
3-fluorobutane-1,2-diimine
CID 171535036
(E)-5-hydroxy-4-methanimidoyl-2,6-dimethylhept-4-en-3-one
CID 135746746
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
3-methylpentane-1,2-diimine
CID 139890655
(Z)-3-methanimidoyl-4,5,5-trimethylhex-2-enimidoyl bromide
CID 170214312
(Z)-3-methanimidoyl-4,5,5-trimethylhex-2-enimidoyl iodide
CID 170214317
methanimine;2-methylprop-2-en-1-imine
CID 145055297
N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine
CID 137185576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-propan-2-ylbutane-1,2-diimine?
The IUPAC name of 3-methyl-2-N-propan-2-ylbutane-1,2-diimine (CID 126601758) is 3-methyl-2-N-propan-2-ylbutane-1,2-diimine.
What is the SMILES notation for 3-methyl-2-N-propan-2-ylbutane-1,2-diimine?
The canonical SMILES for 3-methyl-2-N-propan-2-ylbutane-1,2-diimine is [H]/N=C/C(=N/C(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-N-propan-2-ylbutane-1,2-diimine?
The InChIKey is WFCJRMMJHMAEOI-SXIMUEDZSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(5-9)10-7(3)4/h5-7,9H,1-4H3/b9-5+,10-8-.
What are the key properties of 3-methyl-2-N-propan-2-ylbutane-1,2-diimine?
3-methyl-2-N-propan-2-ylbutane-1,2-diimine has a molecular weight of 140.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-propan-2-ylbutane-1,2-diimine is sourced from PubChem (CID 126601758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).