3-(dimethylamino)butyl N,N-dimethylcarbamate

C9H20N2O2 — CID 10465092

IUPAC3-(dimethylamino)butyl N,N-dimethylcarbamate
SMILESCC(CCOC(=O)N(C)C)N(C)C
InChIInChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
InChIKeyVVGQXMCHKFOTKZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.02
Rot. Bonds4

About 3-(dimethylamino)butyl N,N-dimethylcarbamate

3-(dimethylamino)butyl N,N-dimethylcarbamate (PubChem CID 10465092) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(dimethylamino)butyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name3-(dimethylamino)butyl N,N-dimethylcarbamate
PubChem CID10465092
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(dimethylamino)butyl N,N-dimethylcarbamate
SMILESCC(CCOC(=O)N(C)C)N(C)C
InChIInChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
InChIKeyVVGQXMCHKFOTKZ-UHFFFAOYSA-N
XLogP1.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[3-(dimethylamino)butyl] (E)-but-2-enedioate;hydrochloride
CID 175016414
2-propan-2-yloxyethyl N,N-dimethylcarbamate
CID 172528660
pentyl N,N-dimethylcarbamate
CID 18534522
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
3-(dimethylamino)butyl cyclobutanecarboxylate;oxalic acid
CID 25159195
3-(propan-2-ylamino)propyl N,N-dimethylcarbamate
CID 79338449
[3,6-bis(dimethylamino)-6-oxohexyl] 4-(dimethylamino)pentanoate
CID 170253704
[(3S)-3-(dimethylamino)butyl] 3-methylazetidine-1-carboxylate;oxalic acid
CID 25155026
2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate
CID 57026280
2-methylsulfanylethyl N,N-dimethylcarbamate
CID 130699366

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)butyl N,N-dimethylcarbamate?
The IUPAC name of 3-(dimethylamino)butyl N,N-dimethylcarbamate (CID 10465092) is 3-(dimethylamino)butyl N,N-dimethylcarbamate.
What is the SMILES notation for 3-(dimethylamino)butyl N,N-dimethylcarbamate?
The canonical SMILES for 3-(dimethylamino)butyl N,N-dimethylcarbamate is CC(CCOC(=O)N(C)C)N(C)C.
What is the InChIKey of 3-(dimethylamino)butyl N,N-dimethylcarbamate?
The InChIKey is VVGQXMCHKFOTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3.
What are the key properties of 3-(dimethylamino)butyl N,N-dimethylcarbamate?
3-(dimethylamino)butyl N,N-dimethylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butyl N,N-dimethylcarbamate is sourced from PubChem (CID 10465092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).