N-[bis(methylideneamino)methyl]methanimine

C4H7N3 — CID 140587638

IUPACN-[bis(methylideneamino)methyl]methanimine
SMILESC=NC(N=C)N=C
InChIInChI=1S/C4H7N3/c1-5-4(6-2)7-3/h4H,1-3H2
InChIKeyNYZLTPCRGRBQSS-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.37
Rot. Bonds3

About N-[bis(methylideneamino)methyl]methanimine

N-[bis(methylideneamino)methyl]methanimine (PubChem CID 140587638) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is N-[bis(methylideneamino)methyl]methanimine.

Molecular Properties

Compound NameN-[bis(methylideneamino)methyl]methanimine
PubChem CID140587638
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC NameN-[bis(methylideneamino)methyl]methanimine
SMILESC=NC(N=C)N=C
InChIInChI=1S/C4H7N3/c1-5-4(6-2)7-3/h4H,1-3H2
InChIKeyNYZLTPCRGRBQSS-UHFFFAOYSA-N
XLogP0.37
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-ylmethanimine
CID 123798612
N-[4-(methylideneamino)pentan-2-yl]methanimine
CID 20761828
N-(2,4,5-trimethylhexan-3-yl)methanimine
CID 123223597
dichlorozirconium(2+);bis(N-methanidylmethanimine)
CID 58670471
N-[(Z)-pent-3-en-2-yl]methanimine
CID 144579517
3-(methylideneamino)butan-1-ol
CID 72516607
N-pent-4-en-2-ylmethanimine
CID 123777591
(2S)-3-methyl-2-(methylideneamino)butanoic acid
CID 55300998
2-(methylideneamino)pentan-3-amine
CID 147607794
tris(methylideneamino)-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium
CID 58734225
(2S)-2-(methylideneamino)butanoic acid
CID 163502880
(3R)-3-(methylideneamino)-4-sulfanylbutan-2-one
CID 89325211

Frequently Asked Questions

What is the IUPAC name of N-[bis(methylideneamino)methyl]methanimine?
The IUPAC name of N-[bis(methylideneamino)methyl]methanimine (CID 140587638) is N-[bis(methylideneamino)methyl]methanimine.
What is the SMILES notation for N-[bis(methylideneamino)methyl]methanimine?
The canonical SMILES for N-[bis(methylideneamino)methyl]methanimine is C=NC(N=C)N=C.
What is the InChIKey of N-[bis(methylideneamino)methyl]methanimine?
The InChIKey is NYZLTPCRGRBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-5-4(6-2)7-3/h4H,1-3H2.
What are the key properties of N-[bis(methylideneamino)methyl]methanimine?
N-[bis(methylideneamino)methyl]methanimine has a molecular weight of 97.12 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylideneamino)methyl]methanimine is sourced from PubChem (CID 140587638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).