N-[(methylideneamino)methyl]methanimine

C6H12N4 — CID 90769981

IUPACN-[(methylideneamino)methyl]methanimine
SMILESC=NCN=C.C=NCN=C
InChIInChI=1S/2C3H6N2/c2*1-4-3-5-2/h2*1-3H2
InChIKeyQKFFEFFBUQUZGM-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.69
Rot. Bonds4

About N-[(methylideneamino)methyl]methanimine

N-[(methylideneamino)methyl]methanimine (PubChem CID 90769981) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(methylideneamino)methyl]methanimine.

Molecular Properties

Compound NameN-[(methylideneamino)methyl]methanimine
PubChem CID90769981
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-[(methylideneamino)methyl]methanimine
SMILESC=NCN=C.C=NCN=C
InChIInChI=1S/2C3H6N2/c2*1-4-3-5-2/h2*1-3H2
InChIKeyQKFFEFFBUQUZGM-UHFFFAOYSA-N
XLogP0.69
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethylmethanimine
CID 535674
N-methyl-2-(methylideneamino)acetamide
CID 90245823
N-methyl-1-(methylideneamino)methanamine
CID 59933642
N-[(E)-but-2-enyl]methanimine
CID 18710621
3-(methylideneamino)prop-1-en-1-amine
CID 173404308
N-(2-methylprop-2-enyl)methanimine;hydrochloride
CID 175317969
3-methyl-2-[1-[(methylideneamino)methylimino]propan-2-ylideneamino]butanoic acid
CID 91311364
N-(cyclopropen-1-ylmethyl)methanimine
CID 153084184
N-(oxadiaziridin-2-ylmethyl)methanimine
CID 163537567
2-[(methylideneamino)methyl]prop-2-en-1-amine
CID 163742358
N-[(E)-3-methylsulfanylprop-2-enyl]methanimine
CID 118675776
N-(propylsulfanylmethyl)methanimine
CID 123814099

Frequently Asked Questions

What is the IUPAC name of N-[(methylideneamino)methyl]methanimine?
The IUPAC name of N-[(methylideneamino)methyl]methanimine (CID 90769981) is N-[(methylideneamino)methyl]methanimine.
What is the SMILES notation for N-[(methylideneamino)methyl]methanimine?
The canonical SMILES for N-[(methylideneamino)methyl]methanimine is C=NCN=C.C=NCN=C.
What is the InChIKey of N-[(methylideneamino)methyl]methanimine?
The InChIKey is QKFFEFFBUQUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6N2/c2*1-4-3-5-2/h2*1-3H2.
What are the key properties of N-[(methylideneamino)methyl]methanimine?
N-[(methylideneamino)methyl]methanimine has a molecular weight of 140.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(methylideneamino)methyl]methanimine is sourced from PubChem (CID 90769981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).