N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide

C13H26N2O — CID 63143490

IUPACN,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-11(3)15(5)12(16)13(4)6-7-14-9-13/h10-11,14H,6-9H2,1-5H3
InChIKeyYXKUNIYPIMVJCM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

About N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide

N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 63143490) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide
PubChem CID63143490
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-11(3)15(5)12(16)13(4)6-7-14-9-13/h10-11,14H,6-9H2,1-5H3
InChIKeyYXKUNIYPIMVJCM-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 113269218
N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63143794
3-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 63142000
2-methyl-1-(3-methylpyrrolidin-3-yl)butan-1-one
CID 116569893
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 103109036
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 55166694
N-ethyl-N-(2-hydroxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143706
N-ethyl-3-methyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81489802
N-[1-(3-chlorophenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63144005
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide (CID 63143490) is N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide is CC(C)CC(C)N(C)C(=O)C1(C)CCNC1.
What is the InChIKey of N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is YXKUNIYPIMVJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)8-11(3)15(5)12(16)13(4)6-7-14-9-13/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide?
N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(4-methylpentan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63143490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).