methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate

C14H34Cl2N6O10 — CID 157481360

IUPACmethanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate
SMILESCN.CNC(=O)OC.COC(=O)Cl.COC(=O)Cl.COC(=O)NCNC(=O)OC.NCN
InChIInChI=1S/C5H10N2O4.C3H7NO2.2C2H3ClO2.CH6N2.CH5N/c1-10-4(8)6-3-7-5(9)11-2;1-4-3(5)6-2;2*1-5-2(3)4;2-1-3;1-2/h3H2,1-2H3,(H,6,8)(H,7,9);1-2H3,(H,4,5);2*1H3;1-3H2;2H2,1H3
InChIKeyBWEVOPPAHLVLES-UHFFFAOYSA-N
MW517.36 g/mol
LogP0.05
Rot. Bonds2

About methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate

methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate (PubChem CID 157481360) has the molecular formula C14H34Cl2N6O10 and a molecular weight of 517.36 g/mol. Its IUPAC name is methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate.

Molecular Properties

Compound Namemethanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate
PubChem CID157481360
Molecular FormulaC14H34Cl2N6O10
Molecular Weight517.36 g/mol
Exact Mass516.17
IUPAC Namemethanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate
SMILESCN.CNC(=O)OC.COC(=O)Cl.COC(=O)Cl.COC(=O)NCNC(=O)OC.NCN
InChIInChI=1S/C5H10N2O4.C3H7NO2.2C2H3ClO2.CH6N2.CH5N/c1-10-4(8)6-3-7-5(9)11-2;1-4-3(5)6-2;2*1-5-2(3)4;2-1-3;1-2/h3H2,1-2H3,(H,6,8)(H,7,9);1-2H3,(H,4,5);2*1H3;1-3H2;2H2,1H3
InChIKeyBWEVOPPAHLVLES-UHFFFAOYSA-N
XLogP0.05
TPSA245.65 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500517.36
LogP ≤ 50.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methanamine;methyl N-methylcarbamate;trichloromethyl carbonochloridate
CID 159431397
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
ethane;bis(methyl N-methylcarbamate)
CID 91355167
methane;bis(methyl N-methylcarbamate)
CID 159560145
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
CID 20683013
(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 20674168
methyl N-(2-fluoroethyl)carbamate
CID 14512865
azane;methyl carbonochloridate
CID 126567257
CID 59310774
CID 59310774
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
CID 115267316
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188

Frequently Asked Questions

What is the IUPAC name of methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate?
The IUPAC name of methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate (CID 157481360) is methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate.
What is the SMILES notation for methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate?
The canonical SMILES for methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate is CN.CNC(=O)OC.COC(=O)Cl.COC(=O)Cl.COC(=O)NCNC(=O)OC.NCN.
What is the InChIKey of methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate?
The InChIKey is BWEVOPPAHLVLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4.C3H7NO2.2C2H3ClO2.CH6N2.CH5N/c1-10-4(8)6-3-7-5(9)11-2;1-4-3(5)6-2;2*1-5-2(3)4;2-1-3;1-2/h3H2,1-2H3,(H,6,8)(H,7,9);1-2H3,(H,4,5);2*1H3;1-3H2;2H2,1H3.
What are the key properties of methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate?
methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate has a molecular weight of 517.36 g/mol, XLogP of 0.05, 2 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate is sourced from PubChem (CID 157481360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).