[(diaminomethylamino)methylamino]methanol

C3H12N4O — CID 89391902

IUPAC[(diaminomethylamino)methylamino]methanol
SMILESNC(N)NCNCO
InChIInChI=1S/C3H12N4O/c4-3(5)7-1-6-2-8/h3,6-8H,1-2,4-5H2
InChIKeyMLSRCIKFRPKAFA-UHFFFAOYSA-N
MW120.16 g/mol
LogP-2.73
Rot. Bonds4

About [(diaminomethylamino)methylamino]methanol

[(diaminomethylamino)methylamino]methanol (PubChem CID 89391902) has the molecular formula C3H12N4O and a molecular weight of 120.16 g/mol. Its IUPAC name is [(diaminomethylamino)methylamino]methanol.

Molecular Properties

Compound Name[(diaminomethylamino)methylamino]methanol
PubChem CID89391902
Molecular FormulaC3H12N4O
Molecular Weight120.16 g/mol
Exact Mass120.10
IUPAC Name[(diaminomethylamino)methylamino]methanol
SMILESNC(N)NCNCO
InChIInChI=1S/C3H12N4O/c4-3(5)7-1-6-2-8/h3,6-8H,1-2,4-5H2
InChIKeyMLSRCIKFRPKAFA-UHFFFAOYSA-N
XLogP-2.73
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 5-2.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(diaminomethylamino)methylamino]methanol?
The IUPAC name of [(diaminomethylamino)methylamino]methanol (CID 89391902) is [(diaminomethylamino)methylamino]methanol.
What is the SMILES notation for [(diaminomethylamino)methylamino]methanol?
The canonical SMILES for [(diaminomethylamino)methylamino]methanol is NC(N)NCNCO.
What is the InChIKey of [(diaminomethylamino)methylamino]methanol?
The InChIKey is MLSRCIKFRPKAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N4O/c4-3(5)7-1-6-2-8/h3,6-8H,1-2,4-5H2.
What are the key properties of [(diaminomethylamino)methylamino]methanol?
[(diaminomethylamino)methylamino]methanol has a molecular weight of 120.16 g/mol, XLogP of -2.73, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(diaminomethylamino)methylamino]methanol is sourced from PubChem (CID 89391902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).