N-(propan-2-ylideneamino)butan-2-imine

C7H14N2 — CID 59062083

IUPACN-(propan-2-ylideneamino)butan-2-imine
SMILESCCC(C)=NN=C(C)C
InChIInChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5H2,1-4H3
InChIKeyJDUNDKWHZGRBTF-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.25
Rot. Bonds2

About N-(propan-2-ylideneamino)butan-2-imine

N-(propan-2-ylideneamino)butan-2-imine (PubChem CID 59062083) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)butan-2-imine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)butan-2-imine
PubChem CID59062083
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-(propan-2-ylideneamino)butan-2-imine
SMILESCCC(C)=NN=C(C)C
InChIInChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5H2,1-4H3
InChIKeyJDUNDKWHZGRBTF-UHFFFAOYSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.25
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-(propan-2-ylideneamino)butan-2-imine?
The IUPAC name of N-(propan-2-ylideneamino)butan-2-imine (CID 59062083) is N-(propan-2-ylideneamino)butan-2-imine.
What is the SMILES notation for N-(propan-2-ylideneamino)butan-2-imine?
The canonical SMILES for N-(propan-2-ylideneamino)butan-2-imine is CCC(C)=NN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)butan-2-imine?
The InChIKey is JDUNDKWHZGRBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5H2,1-4H3.
What are the key properties of N-(propan-2-ylideneamino)butan-2-imine?
N-(propan-2-ylideneamino)butan-2-imine has a molecular weight of 126.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)butan-2-imine is sourced from PubChem (CID 59062083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).