2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate

C13H29N3O2 — CID 515611

IUPAC2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate
SMILESCCN(CC)CCOC(=O)N(C)CCCN(C)C
InChIInChI=1S/C13H29N3O2/c1-6-16(7-2)11-12-18-13(17)15(5)10-8-9-14(3)4/h6-12H2,1-5H3
InChIKeyBUGMHXFCYXVYPQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.35
Rot. Bonds9

About 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate

2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate (PubChem CID 515611) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate
PubChem CID515611
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate
SMILESCCN(CC)CCOC(=O)N(C)CCCN(C)C
InChIInChI=1S/C13H29N3O2/c1-6-16(7-2)11-12-18-13(17)15(5)10-8-9-14(3)4/h6-12H2,1-5H3
InChIKeyBUGMHXFCYXVYPQ-UHFFFAOYSA-N
XLogP1.35
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate?
The IUPAC name of 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate (CID 515611) is 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate.
What is the SMILES notation for 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate?
The canonical SMILES for 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate is CCN(CC)CCOC(=O)N(C)CCCN(C)C.
What is the InChIKey of 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate?
The InChIKey is BUGMHXFCYXVYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-6-16(7-2)11-12-18-13(17)15(5)10-8-9-14(3)4/h6-12H2,1-5H3.
What are the key properties of 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate?
2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate has a molecular weight of 259.39 g/mol, XLogP of 1.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N-[3-(dimethylamino)propyl]-N-methylcarbamate is sourced from PubChem (CID 515611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).