(butan-2-ylideneamino)methanamine

C5H12N2 — CID 147328484

IUPAC(butan-2-ylideneamino)methanamine
SMILESCCC(C)=NCN
InChIInChI=1S/C5H12N2/c1-3-5(2)7-4-6/h3-4,6H2,1-2H3
InChIKeyDBEVYILBTOSQOC-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.77
Rot. Bonds2

About (butan-2-ylideneamino)methanamine

(butan-2-ylideneamino)methanamine (PubChem CID 147328484) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (butan-2-ylideneamino)methanamine.

Molecular Properties

Compound Name(butan-2-ylideneamino)methanamine
PubChem CID147328484
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(butan-2-ylideneamino)methanamine
SMILESCCC(C)=NCN
InChIInChI=1S/C5H12N2/c1-3-5(2)7-4-6/h3-4,6H2,1-2H3
InChIKeyDBEVYILBTOSQOC-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 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 ≤ 50.77
H-Bond Donors ≤ 51
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 (butan-2-ylideneamino)methanamine?
The IUPAC name of (butan-2-ylideneamino)methanamine (CID 147328484) is (butan-2-ylideneamino)methanamine.
What is the SMILES notation for (butan-2-ylideneamino)methanamine?
The canonical SMILES for (butan-2-ylideneamino)methanamine is CCC(C)=NCN.
What is the InChIKey of (butan-2-ylideneamino)methanamine?
The InChIKey is DBEVYILBTOSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-5(2)7-4-6/h3-4,6H2,1-2H3.
What are the key properties of (butan-2-ylideneamino)methanamine?
(butan-2-ylideneamino)methanamine has a molecular weight of 100.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (butan-2-ylideneamino)methanamine is sourced from PubChem (CID 147328484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).