N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide

C14H27N3O — CID 79314006

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1(C)CCCN1
InChIInChI=1S/C14H27N3O/c1-4-17-10-5-7-12(17)11-16(3)13(18)14(2)8-6-9-15-14/h12,15H,4-11H2,1-3H3
InChIKeyMPROGKCBYXHLNT-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide (PubChem CID 79314006) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
PubChem CID79314006
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1(C)CCCN1
InChIInChI=1S/C14H27N3O/c1-4-17-10-5-7-12(17)11-16(3)13(18)14(2)8-6-9-15-14/h12,15H,4-11H2,1-3H3
InChIKeyMPROGKCBYXHLNT-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide
CID 79314603
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 79313592
1-carbamothioyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80591070
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpiperidine-2-carboxamide
CID 104596944
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 79319501
N,2-dimethyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 113368607

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide (CID 79314006) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide is CCN1CCCC1CN(C)C(=O)C1(C)CCCN1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The InChIKey is MPROGKCBYXHLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-17-10-5-7-12(17)11-16(3)13(18)14(2)8-6-9-15-14/h12,15H,4-11H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79314006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).