3-(dimethylamino)butyl N-benzyl-N-methylcarbamate

C15H24N2O2 — CID 44570008

IUPAC3-(dimethylamino)butyl N-benzyl-N-methylcarbamate
SMILESCC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-13(16(2)3)10-11-19-15(18)17(4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyUJPISKKZQVLXEM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.60
Rot. Bonds6

About 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate

3-(dimethylamino)butyl N-benzyl-N-methylcarbamate (PubChem CID 44570008) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name3-(dimethylamino)butyl N-benzyl-N-methylcarbamate
PubChem CID44570008
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(dimethylamino)butyl N-benzyl-N-methylcarbamate
SMILESCC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-13(16(2)3)10-11-19-15(18)17(4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyUJPISKKZQVLXEM-UHFFFAOYSA-N
XLogP2.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate?
The IUPAC name of 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate (CID 44570008) is 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate.
What is the SMILES notation for 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate?
The canonical SMILES for 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate is CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C.
What is the InChIKey of 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate?
The InChIKey is UJPISKKZQVLXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13(16(2)3)10-11-19-15(18)17(4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3.
What are the key properties of 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate?
3-(dimethylamino)butyl N-benzyl-N-methylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butyl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 44570008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).