N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine

C12H24N2 — CID 88831618

IUPACN-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine
SMILESCC(C)(C)CC=NN=CCC(C)(C)C
InChIInChI=1S/C12H24N2/c1-11(2,3)7-9-13-14-10-8-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyYKYBXZJALRDOHI-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.92
Rot. Bonds3

About N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine

N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine (PubChem CID 88831618) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine
PubChem CID88831618
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine
SMILESCC(C)(C)CC=NN=CCC(C)(C)C
InChIInChI=1S/C12H24N2/c1-11(2,3)7-9-13-14-10-8-12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyYKYBXZJALRDOHI-UHFFFAOYSA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine?
The IUPAC name of N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine (CID 88831618) is N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine.
What is the SMILES notation for N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine?
The canonical SMILES for N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine is CC(C)(C)CC=NN=CCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine?
The InChIKey is YKYBXZJALRDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2,3)7-9-13-14-10-8-12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine?
N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine has a molecular weight of 196.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutylideneamino)-3,3-dimethylbutan-1-imine is sourced from PubChem (CID 88831618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).