N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide

C12H24N2O — CID 110688182

IUPACN-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)CCNC(=O)CCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-11(2)5-7-13-12(15)6-10-14-8-3-4-9-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyMPHDHJLWVYUECE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds6

About N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide

N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 110688182) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID110688182
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)CCNC(=O)CCN1CCCC1
InChIInChI=1S/C12H24N2O/c1-11(2)5-7-13-12(15)6-10-14-8-3-4-9-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyMPHDHJLWVYUECE-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylbutylamino)ethyl]-3-[4-[3-oxo-3-(propan-2-ylamino)propyl]piperazin-1-yl]propanamide
CID 167209873
N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
CID 113340869
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
3-[4-[3-(4-methylpentylamino)-3-oxopropyl]piperazin-1-yl]propanamide
CID 167209930
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942380
N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 115650073
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide (CID 110688182) is N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide is CC(C)CCNC(=O)CCN1CCCC1.
What is the InChIKey of N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is MPHDHJLWVYUECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)5-7-13-12(15)6-10-14-8-3-4-9-14/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide?
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 110688182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).