N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide

C13H26N2O — CID 115160396

IUPACN-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)CCCN(C)C(=O)CC1CCNC1
InChIInChI=1S/C13H26N2O/c1-11(2)5-4-8-15(3)13(16)9-12-6-7-14-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeySPSALRATMGOVCO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds6

About N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide

N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 115160396) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide
PubChem CID115160396
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide
SMILESCC(C)CCCN(C)C(=O)CC1CCNC1
InChIInChI=1S/C13H26N2O/c1-11(2)5-4-8-15(3)13(16)9-12-6-7-14-10-12/h11-12,14H,4-10H2,1-3H3
InChIKeySPSALRATMGOVCO-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
CID 115209057
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylacetamide
CID 63693325
N-butyl-N-methyl-2-piperidin-4-ylacetamide
CID 24710322
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 115160418
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-pyrrolidin-3-ylacetamide
CID 103188746
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
N-(2-methoxyethyl)-N-methyl-2-piperidin-3-ylacetamide
CID 62690898
N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride
CID 119772573
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 79493806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide (CID 115160396) is N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide is CC(C)CCCN(C)C(=O)CC1CCNC1.
What is the InChIKey of N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is SPSALRATMGOVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)5-4-8-15(3)13(16)9-12-6-7-14-10-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide?
N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 115160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).