N-[(E)-butan-2-ylideneamino]methanamine

C5H12N2 — CID 17389475

IUPACN-[(E)-butan-2-ylideneamino]methanamine
SMILESCC/C(C)=N/NC
InChIInChI=1S/C5H12N2/c1-4-5(2)7-6-3/h6H,4H2,1-3H3/b7-5+
InChIKeyVBCGYWVDRKKFET-FNORWQNLSA-N
MW100.16 g/mol
LogP0.99
Rot. Bonds2

About N-[(E)-butan-2-ylideneamino]methanamine

N-[(E)-butan-2-ylideneamino]methanamine (PubChem CID 17389475) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]methanamine
PubChem CID17389475
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-[(E)-butan-2-ylideneamino]methanamine
SMILESCC/C(C)=N/NC
InChIInChI=1S/C5H12N2/c1-4-5(2)7-6-3/h6H,4H2,1-3H3/b7-5+
InChIKeyVBCGYWVDRKKFET-FNORWQNLSA-N
XLogP0.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.99
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 N-[(E)-butan-2-ylideneamino]methanamine?
The IUPAC name of N-[(E)-butan-2-ylideneamino]methanamine (CID 17389475) is N-[(E)-butan-2-ylideneamino]methanamine.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]methanamine?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]methanamine is CC/C(C)=N/NC.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]methanamine?
The InChIKey is VBCGYWVDRKKFET-FNORWQNLSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-5(2)7-6-3/h6H,4H2,1-3H3/b7-5+.
What are the key properties of N-[(E)-butan-2-ylideneamino]methanamine?
N-[(E)-butan-2-ylideneamino]methanamine has a molecular weight of 100.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]methanamine is sourced from PubChem (CID 17389475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).