ethyl N,N-bis[1-(dimethylamino)propyl]carbamate

C13H29N3O2 — CID 88748981

IUPACethyl N,N-bis[1-(dimethylamino)propyl]carbamate
SMILESCCOC(=O)N(C(CC)N(C)C)C(CC)N(C)C
InChIInChI=1S/C13H29N3O2/c1-8-11(14(4)5)16(13(17)18-10-3)12(9-2)15(6)7/h11-12H,8-10H2,1-7H3
InChIKeyWOCOOLVVTGKSPO-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.04
Rot. Bonds7

About ethyl N,N-bis[1-(dimethylamino)propyl]carbamate

ethyl N,N-bis[1-(dimethylamino)propyl]carbamate (PubChem CID 88748981) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl N,N-bis[1-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Nameethyl N,N-bis[1-(dimethylamino)propyl]carbamate
PubChem CID88748981
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Nameethyl N,N-bis[1-(dimethylamino)propyl]carbamate
SMILESCCOC(=O)N(C(CC)N(C)C)C(CC)N(C)C
InChIInChI=1S/C13H29N3O2/c1-8-11(14(4)5)16(13(17)18-10-3)12(9-2)15(6)7/h11-12H,8-10H2,1-7H3
InChIKeyWOCOOLVVTGKSPO-UHFFFAOYSA-N
XLogP2.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
CID 175194791
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
ethyl N,N-diaminocarbamate
CID 54365685
ethyl 2-[ethoxycarbonyl(methyl)amino]-3-methylpentanoate
CID 155456106
ethyl N-(1-chlorobutan-2-yl)-N-methylcarbamate
CID 54188517
ethyl N-(2,2-difluoroethyl)-N-methylcarbamate
CID 115611635
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate
CID 163746580
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl N-(cyclopropylmethyl)-N-methylcarbamate
CID 56630392

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-bis[1-(dimethylamino)propyl]carbamate?
The IUPAC name of ethyl N,N-bis[1-(dimethylamino)propyl]carbamate (CID 88748981) is ethyl N,N-bis[1-(dimethylamino)propyl]carbamate.
What is the SMILES notation for ethyl N,N-bis[1-(dimethylamino)propyl]carbamate?
The canonical SMILES for ethyl N,N-bis[1-(dimethylamino)propyl]carbamate is CCOC(=O)N(C(CC)N(C)C)C(CC)N(C)C.
What is the InChIKey of ethyl N,N-bis[1-(dimethylamino)propyl]carbamate?
The InChIKey is WOCOOLVVTGKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-8-11(14(4)5)16(13(17)18-10-3)12(9-2)15(6)7/h11-12H,8-10H2,1-7H3.
What are the key properties of ethyl N,N-bis[1-(dimethylamino)propyl]carbamate?
ethyl N,N-bis[1-(dimethylamino)propyl]carbamate has a molecular weight of 259.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-bis[1-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 88748981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).