3-(dimethylamino)propyl carbamate

C6H14N2O2 — CID 18759321

IUPAC3-(dimethylamino)propyl carbamate
SMILESCN(C)CCCOC(N)=O
InChIInChI=1S/C6H14N2O2/c1-8(2)4-3-5-10-6(7)9/h3-5H2,1-2H3,(H2,7,9)
InChIKeyYOLVJGMWKAOAOW-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.03
Rot. Bonds4

About 3-(dimethylamino)propyl carbamate

3-(dimethylamino)propyl carbamate (PubChem CID 18759321) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(dimethylamino)propyl carbamate.

Molecular Properties

Compound Name3-(dimethylamino)propyl carbamate
PubChem CID18759321
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name3-(dimethylamino)propyl carbamate
SMILESCN(C)CCCOC(N)=O
InChIInChI=1S/C6H14N2O2/c1-8(2)4-3-5-10-6(7)9/h3-5H2,1-2H3,(H2,7,9)
InChIKeyYOLVJGMWKAOAOW-UHFFFAOYSA-N
XLogP0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl carbamate?
The IUPAC name of 3-(dimethylamino)propyl carbamate (CID 18759321) is 3-(dimethylamino)propyl carbamate.
What is the SMILES notation for 3-(dimethylamino)propyl carbamate?
The canonical SMILES for 3-(dimethylamino)propyl carbamate is CN(C)CCCOC(N)=O.
What is the InChIKey of 3-(dimethylamino)propyl carbamate?
The InChIKey is YOLVJGMWKAOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-8(2)4-3-5-10-6(7)9/h3-5H2,1-2H3,(H2,7,9).
What are the key properties of 3-(dimethylamino)propyl carbamate?
3-(dimethylamino)propyl carbamate has a molecular weight of 146.19 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl carbamate is sourced from PubChem (CID 18759321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).