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

C7H14N2 — CID 123596480

IUPAC2-N-propan-2-ylbutane-1,2-diimine
SMILES[H]/N=C/C(CC)=N/C(C)C
InChIInChI=1S/C7H14N2/c1-4-7(5-8)9-6(2)3/h5-6,8H,4H2,1-3H3/b8-5+,9-7+
InChIKeyGXOZJVOFWLWTON-OCIXRKKMSA-N
MW126.20 g/mol
LogP1.90
Rot. Bonds3

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

2-N-propan-2-ylbutane-1,2-diimine (PubChem CID 123596480) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-N-propan-2-ylbutane-1,2-diimine.

Molecular Properties

Compound Name2-N-propan-2-ylbutane-1,2-diimine
PubChem CID123596480
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-N-propan-2-ylbutane-1,2-diimine
SMILES[H]/N=C/C(CC)=N/C(C)C
InChIInChI=1S/C7H14N2/c1-4-7(5-8)9-6(2)3/h5-6,8H,4H2,1-3H3/b8-5+,9-7+
InChIKeyGXOZJVOFWLWTON-OCIXRKKMSA-N
XLogP1.90
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.90
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

3-methyl-2-N-propan-2-ylbutane-1,2-diimine
CID 126601758
5-methyl-N-propan-2-ylhex-4-en-3-imine
CID 130433844
3-methylpentane-1,2-diimine
CID 139890655
N-propan-2-ylbutan-2-imine
CID 535666
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
CID 147081796
4-methanimidoylhex-4-en-3-one
CID 155692065
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
3-methanimidoylpent-2-en-2-amine
CID 173477121
(E)-3-methyl-2-propylpent-2-en-1-imine
CID 177362543
(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-ylbutane-1,2-diimine?
The IUPAC name of 2-N-propan-2-ylbutane-1,2-diimine (CID 123596480) is 2-N-propan-2-ylbutane-1,2-diimine.
What is the SMILES notation for 2-N-propan-2-ylbutane-1,2-diimine?
The canonical SMILES for 2-N-propan-2-ylbutane-1,2-diimine is [H]/N=C/C(CC)=N/C(C)C.
What is the InChIKey of 2-N-propan-2-ylbutane-1,2-diimine?
The InChIKey is GXOZJVOFWLWTON-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(5-8)9-6(2)3/h5-6,8H,4H2,1-3H3/b8-5+,9-7+.
What are the key properties of 2-N-propan-2-ylbutane-1,2-diimine?
2-N-propan-2-ylbutane-1,2-diimine has a molecular weight of 126.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-ylbutane-1,2-diimine is sourced from PubChem (CID 123596480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).