N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide

C15H31N3O — CID 83071794

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(CC(C)C)CN(C)C)CCCN1
InChIInChI=1S/C15H31N3O/c1-6-15(8-7-9-16-15)14(19)17-13(10-12(2)3)11-18(4)5/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyDRMIQDBLBWXWFF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds7

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071794) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071794
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(CC(C)C)CN(C)C)CCCN1
InChIInChI=1S/C15H31N3O/c1-6-15(8-7-9-16-15)14(19)17-13(10-12(2)3)11-18(4)5/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyDRMIQDBLBWXWFF-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 103308078
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
N-[2-(dimethylsulfamoyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 106337546
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-ethyl-N-methyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 83079995

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide (CID 83071794) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NC(CC(C)C)CN(C)C)CCCN1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is DRMIQDBLBWXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-15(8-7-9-16-15)14(19)17-13(10-12(2)3)11-18(4)5/h12-13,16H,6-11H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).