N-[3-(dimethylamino)propyl]-N-ethylcarbamate

C8H17N2O2- — CID 57376301

IUPACN-[3-(dimethylamino)propyl]-N-ethylcarbamate
SMILESCCN(CCCN(C)C)C(=O)[O-]
InChIInChI=1S/C8H18N2O2/c1-4-10(8(11)12)7-5-6-9(2)3/h4-7H2,1-3H3,(H,11,12)/p-1
InChIKeyJBXVMIKXQWIVFD-UHFFFAOYSA-M
MW173.24 g/mol
LogP-0.40
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N-ethylcarbamate

N-[3-(dimethylamino)propyl]-N-ethylcarbamate (PubChem CID 57376301) has the molecular formula C8H17N2O2- and a molecular weight of 173.24 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethylcarbamate.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethylcarbamate
PubChem CID57376301
Molecular FormulaC8H17N2O2-
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethylcarbamate
SMILESCCN(CCCN(C)C)C(=O)[O-]
InChIInChI=1S/C8H18N2O2/c1-4-10(8(11)12)7-5-6-9(2)3/h4-7H2,1-3H3,(H,11,12)/p-1
InChIKeyJBXVMIKXQWIVFD-UHFFFAOYSA-M
XLogP-0.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-hexylcarbamate
CID 53442022
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
N-[3-(dimethylamino)propyl]-N-ethylpiperidine-1-carboxamide
CID 102976075
2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid
CID 102991712
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
CID 102992798
3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102978871
2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
CID 60809657
2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 102991709

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylcarbamate?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylcarbamate (CID 57376301) is N-[3-(dimethylamino)propyl]-N-ethylcarbamate.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethylcarbamate?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethylcarbamate is CCN(CCCN(C)C)C(=O)[O-].
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethylcarbamate?
The InChIKey is JBXVMIKXQWIVFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2/c1-4-10(8(11)12)7-5-6-9(2)3/h4-7H2,1-3H3,(H,11,12)/p-1.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethylcarbamate?
N-[3-(dimethylamino)propyl]-N-ethylcarbamate has a molecular weight of 173.24 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethylcarbamate is sourced from PubChem (CID 57376301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).