1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine

C6H12N4 — CID 54513700

IUPAC1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine
SMILESC=NCN(CN=C)CN=C
InChIInChI=1S/C6H12N4/c1-7-4-10(5-8-2)6-9-3/h1-6H2
InChIKeyYKXMAYGVUWYJPZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.26
Rot. Bonds6

About 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine

1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine (PubChem CID 54513700) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine.

Molecular Properties

Compound Name1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine
PubChem CID54513700
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine
SMILESC=NCN(CN=C)CN=C
InChIInChI=1S/C6H12N4/c1-7-4-10(5-8-2)6-9-3/h1-6H2
InChIKeyYKXMAYGVUWYJPZ-UHFFFAOYSA-N
XLogP0.26
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine?
The IUPAC name of 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine (CID 54513700) is 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine.
What is the SMILES notation for 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine?
The canonical SMILES for 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine is C=NCN(CN=C)CN=C.
What is the InChIKey of 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine?
The InChIKey is YKXMAYGVUWYJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-7-4-10(5-8-2)6-9-3/h1-6H2.
What are the key properties of 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine?
1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine has a molecular weight of 140.19 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylideneamino)-N,N-bis[(methylideneamino)methyl]methanamine is sourced from PubChem (CID 54513700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).