N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide

C13H26N2O — CID 167206837

IUPACN-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C13H26N2O/c1-4-6-11(7-5-2)13(16)14-12-8-9-15(3)10-12/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1
InChIKeyOQRMRNLNQJESBS-GFCCVEGCSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds6

About N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide

N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide (PubChem CID 167206837) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
PubChem CID167206837
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C13H26N2O/c1-4-6-11(7-5-2)13(16)14-12-8-9-15(3)10-12/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1
InChIKeyOQRMRNLNQJESBS-GFCCVEGCSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide?
The IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide (CID 167206837) is N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide.
What is the SMILES notation for N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide?
The canonical SMILES for N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide is CCCC(CCC)C(=O)N[C@@H]1CCN(C)C1.
What is the InChIKey of N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide?
The InChIKey is OQRMRNLNQJESBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-11(7-5-2)13(16)14-12-8-9-15(3)10-12/h11-12H,4-10H2,1-3H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide?
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide is sourced from PubChem (CID 167206837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).