N-(butan-2-ylideneamino)methanamine

C5H12N2 — CID 3710788

IUPACN-(butan-2-ylideneamino)methanamine
SMILESCCC(C)=NNC
InChIInChI=1S/C5H12N2/c1-4-5(2)7-6-3/h6H,4H2,1-3H3
InChIKeyVBCGYWVDRKKFET-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.99
Rot. Bonds2

About N-(butan-2-ylideneamino)methanamine

N-(butan-2-ylideneamino)methanamine (PubChem CID 3710788) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)methanamine.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)methanamine
PubChem CID3710788
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-(butan-2-ylideneamino)methanamine
SMILESCCC(C)=NNC
InChIInChI=1S/C5H12N2/c1-4-5(2)7-6-3/h6H,4H2,1-3H3
InChIKeyVBCGYWVDRKKFET-UHFFFAOYSA-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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Related Compounds

2-Propanone, methylhydrazone
CID 79840
2-Propanone, propylhydrazone
CID 139018
Acetone ethylhydrazone
CID 544861
1-Cyclopentylidene-2-methylhydrazine
CID 318787
2-Butanone, ethylhydrazone
CID 535835
N-(pentan-3-ylideneamino)methanamine
CID 14415619
Cyclohexanonmethylhydrazon
CID 15619304
N-[(Z)-pentan-2-ylideneamino]methanamine
CID 135052633
(2Z)-2-(methylhydrazinylidene)propanimidoyl fluoride
CID 59444344
N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine
CID 59444346
N-[(Z)-(4,4,4-trifluoro-3-iminobutan-2-ylidene)amino]methanamine
CID 59444700
(1E)-N-methylpropanehydrazonoyl fluoride
CID 156385575

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)methanamine?
The IUPAC name of N-(butan-2-ylideneamino)methanamine (CID 3710788) is N-(butan-2-ylideneamino)methanamine.
What is the SMILES notation for N-(butan-2-ylideneamino)methanamine?
The canonical SMILES for N-(butan-2-ylideneamino)methanamine is CCC(C)=NNC.
What is the InChIKey of N-(butan-2-ylideneamino)methanamine?
The InChIKey is VBCGYWVDRKKFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-5(2)7-6-3/h6H,4H2,1-3H3.
What are the key properties of N-(butan-2-ylideneamino)methanamine?
N-(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-(butan-2-ylideneamino)methanamine is sourced from PubChem (CID 3710788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).