N-[(propan-2-ylideneamino)methyl]propan-2-imine

C7H14N2 — CID 18736439

IUPACN-[(propan-2-ylideneamino)methyl]propan-2-imine
SMILESCC(C)=NCN=C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h5H2,1-4H3
InChIKeyKJKKRLRKSBBRGQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.91
Rot. Bonds2

About N-[(propan-2-ylideneamino)methyl]propan-2-imine

N-[(propan-2-ylideneamino)methyl]propan-2-imine (PubChem CID 18736439) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(propan-2-ylideneamino)methyl]propan-2-imine.

Molecular Properties

Compound NameN-[(propan-2-ylideneamino)methyl]propan-2-imine
PubChem CID18736439
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(propan-2-ylideneamino)methyl]propan-2-imine
SMILESCC(C)=NCN=C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h5H2,1-4H3
InChIKeyKJKKRLRKSBBRGQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(propan-2-ylideneamino)methyl]propan-2-imine?
The IUPAC name of N-[(propan-2-ylideneamino)methyl]propan-2-imine (CID 18736439) is N-[(propan-2-ylideneamino)methyl]propan-2-imine.
What is the SMILES notation for N-[(propan-2-ylideneamino)methyl]propan-2-imine?
The canonical SMILES for N-[(propan-2-ylideneamino)methyl]propan-2-imine is CC(C)=NCN=C(C)C.
What is the InChIKey of N-[(propan-2-ylideneamino)methyl]propan-2-imine?
The InChIKey is KJKKRLRKSBBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h5H2,1-4H3.
What are the key properties of N-[(propan-2-ylideneamino)methyl]propan-2-imine?
N-[(propan-2-ylideneamino)methyl]propan-2-imine has a molecular weight of 126.20 g/mol, XLogP of 1.91, 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)methyl]propan-2-imine is sourced from PubChem (CID 18736439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).