methyl N-[(diaminomethylideneamino)methyl]carbamate

C4H10N4O2 — CID 121342438

IUPACmethyl N-[(diaminomethylideneamino)methyl]carbamate
SMILESCOC(=O)NCN=C(N)N
InChIInChI=1S/C4H10N4O2/c1-10-4(9)8-2-7-3(5)6/h2H2,1H3,(H,8,9)(H4,5,6,7)
InChIKeyDPCJHCIJEQRCTE-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.43
Rot. Bonds2

About methyl N-[(diaminomethylideneamino)methyl]carbamate

methyl N-[(diaminomethylideneamino)methyl]carbamate (PubChem CID 121342438) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is methyl N-[(diaminomethylideneamino)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(diaminomethylideneamino)methyl]carbamate
PubChem CID121342438
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Namemethyl N-[(diaminomethylideneamino)methyl]carbamate
SMILESCOC(=O)NCN=C(N)N
InChIInChI=1S/C4H10N4O2/c1-10-4(9)8-2-7-3(5)6/h2H2,1H3,(H,8,9)(H4,5,6,7)
InChIKeyDPCJHCIJEQRCTE-UHFFFAOYSA-N
XLogP-1.43
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N'-(methylcarbamoyl)carbamimidate
CID 13229061
methyl N-(N'-methylcarbamimidoyl)carbamate
CID 23423864
methyl N'-(methylcarbamoyl)carbamimidate
CID 53740345
methyl N'-(methylcarbamoyl)carbamimidate
CID 55284154
methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate
CID 57074247
methyl N-(isocyanatomethyl)carbamate
CID 57981692
methyl N-[[(methoxycarbonylamino)methyliminomethylideneamino]methyl]carbamate
CID 58120551
[(Methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium
CID 58120558
methyl N-(N,N'-dimethylcarbamimidoyl)carbamate
CID 59930242
(N'-methylcarbamimidoyl) N-methylcarbamate
CID 87477136
(2-amino-6-oxo-1H-1,3,5-triazin-4-yl) N-methylcarbamate
CID 89183104
(diaminomethylideneamino)methyl N-methylcarbamate
CID 121342492

Frequently Asked Questions

What is the IUPAC name of methyl N-[(diaminomethylideneamino)methyl]carbamate?
The IUPAC name of methyl N-[(diaminomethylideneamino)methyl]carbamate (CID 121342438) is methyl N-[(diaminomethylideneamino)methyl]carbamate.
What is the SMILES notation for methyl N-[(diaminomethylideneamino)methyl]carbamate?
The canonical SMILES for methyl N-[(diaminomethylideneamino)methyl]carbamate is COC(=O)NCN=C(N)N.
What is the InChIKey of methyl N-[(diaminomethylideneamino)methyl]carbamate?
The InChIKey is DPCJHCIJEQRCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c1-10-4(9)8-2-7-3(5)6/h2H2,1H3,(H,8,9)(H4,5,6,7).
What are the key properties of methyl N-[(diaminomethylideneamino)methyl]carbamate?
methyl N-[(diaminomethylideneamino)methyl]carbamate has a molecular weight of 146.15 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(diaminomethylideneamino)methyl]carbamate is sourced from PubChem (CID 121342438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).