methyl N-(dipropoxymethylideneamino)carbamate

C9H18N2O4 — CID 22617107

IUPACmethyl N-(dipropoxymethylideneamino)carbamate
SMILESCCCOC(=NNC(=O)OC)OCCC
InChIInChI=1S/C9H18N2O4/c1-4-6-14-9(15-7-5-2)11-10-8(12)13-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyPDAYMIHOBOGENV-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.47
Rot. Bonds5

About methyl N-(dipropoxymethylideneamino)carbamate

methyl N-(dipropoxymethylideneamino)carbamate (PubChem CID 22617107) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl N-(dipropoxymethylideneamino)carbamate.

Molecular Properties

Compound Namemethyl N-(dipropoxymethylideneamino)carbamate
PubChem CID22617107
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Namemethyl N-(dipropoxymethylideneamino)carbamate
SMILESCCCOC(=NNC(=O)OC)OCCC
InChIInChI=1S/C9H18N2O4/c1-4-6-14-9(15-7-5-2)11-10-8(12)13-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyPDAYMIHOBOGENV-UHFFFAOYSA-N
XLogP1.47
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(dimethoxymethylideneamino)carbamate
CID 151130925
ethyl (2S,3Z)-2-ethyl-3-(methoxycarbonylhydrazinylidene)butanoate
CID 7278066
ethyl 2-[N-(methoxycarbonylamino)-C-methylcarbonimidoyl]pentanoate
CID 3255004
methyl (1E)-N-methoxycarbonylethanehydrazonate
CID 118028972
butane;propyl N-hydroxycarbamate
CID 174767978
ethane;propyl N-methylcarbamate
CID 142560404
methyl 3-(methoxycarbonylhydrazinylidene)butanoate
CID 170986188
propyl N-(methoxymethyl)carbamate
CID 142704391
propyl N-trimethoxysilylcarbamate
CID 91603083
methyl N-[(1-chloro-2,2,2-trifluoroethylidene)amino]carbamate
CID 54467048
propyl (1E)-N-methoxycarbonylethanimidate
CID 21350809
propyl N-(tert-butylamino)carbamate
CID 150814794

Frequently Asked Questions

What is the IUPAC name of methyl N-(dipropoxymethylideneamino)carbamate?
The IUPAC name of methyl N-(dipropoxymethylideneamino)carbamate (CID 22617107) is methyl N-(dipropoxymethylideneamino)carbamate.
What is the SMILES notation for methyl N-(dipropoxymethylideneamino)carbamate?
The canonical SMILES for methyl N-(dipropoxymethylideneamino)carbamate is CCCOC(=NNC(=O)OC)OCCC.
What is the InChIKey of methyl N-(dipropoxymethylideneamino)carbamate?
The InChIKey is PDAYMIHOBOGENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-4-6-14-9(15-7-5-2)11-10-8(12)13-3/h4-7H2,1-3H3,(H,10,12).
What are the key properties of methyl N-(dipropoxymethylideneamino)carbamate?
methyl N-(dipropoxymethylideneamino)carbamate has a molecular weight of 218.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(dipropoxymethylideneamino)carbamate is sourced from PubChem (CID 22617107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).