2-methyl-N-[(E)-propylideneamino]propan-2-amine

C7H16N2 — CID 13183551

IUPAC2-methyl-N-[(E)-propylideneamino]propan-2-amine
SMILESCC/C=N/NC(C)(C)C
InChIInChI=1S/C7H16N2/c1-5-6-8-9-7(2,3)4/h6,9H,5H2,1-4H3/b8-6+
InChIKeyJNKAGTAPIHQJNT-SOFGYWHQSA-N
MW128.22 g/mol
LogP1.77
Rot. Bonds2

About 2-methyl-N-[(E)-propylideneamino]propan-2-amine

2-methyl-N-[(E)-propylideneamino]propan-2-amine (PubChem CID 13183551) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-methyl-N-[(E)-propylideneamino]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-propylideneamino]propan-2-amine
PubChem CID13183551
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-methyl-N-[(E)-propylideneamino]propan-2-amine
SMILESCC/C=N/NC(C)(C)C
InChIInChI=1S/C7H16N2/c1-5-6-8-9-7(2,3)4/h6,9H,5H2,1-4H3/b8-6+
InChIKeyJNKAGTAPIHQJNT-SOFGYWHQSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 2-methyl-N-[(E)-propylideneamino]propan-2-amine?
The IUPAC name of 2-methyl-N-[(E)-propylideneamino]propan-2-amine (CID 13183551) is 2-methyl-N-[(E)-propylideneamino]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(E)-propylideneamino]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(E)-propylideneamino]propan-2-amine is CC/C=N/NC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(E)-propylideneamino]propan-2-amine?
The InChIKey is JNKAGTAPIHQJNT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-6-8-9-7(2,3)4/h6,9H,5H2,1-4H3/b8-6+.
What are the key properties of 2-methyl-N-[(E)-propylideneamino]propan-2-amine?
2-methyl-N-[(E)-propylideneamino]propan-2-amine has a molecular weight of 128.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-propylideneamino]propan-2-amine is sourced from PubChem (CID 13183551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).