3,3-dimethyl-N-propylpyrrolidine-1-carboxamide

C10H20N2O — CID 115661017

IUPAC3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-4-6-11-9(13)12-7-5-10(2,3)8-12/h4-8H2,1-3H3,(H,11,13)
InChIKeyRHYJMFPHJMANFQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.84
Rot. Bonds2

About 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide

3,3-dimethyl-N-propylpyrrolidine-1-carboxamide (PubChem CID 115661017) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
PubChem CID115661017
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-4-6-11-9(13)12-7-5-10(2,3)8-12/h4-8H2,1-3H3,(H,11,13)
InChIKeyRHYJMFPHJMANFQ-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
N-ethoxy-3,3-dimethylpyrrolidine-1-carboxamide
CID 130616127
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358
3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115428947
N-propylmorpholine-4-carboxamide
CID 3410822
4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 165488012
3,3-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 71868427
(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
CID 107146319
2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177006
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 129369255
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 130856026

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide (CID 115661017) is 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide?
The InChIKey is RHYJMFPHJMANFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-11-9(13)12-7-5-10(2,3)8-12/h4-8H2,1-3H3,(H,11,13).
What are the key properties of 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide?
3,3-dimethyl-N-propylpyrrolidine-1-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115661017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).