N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide

C13H27N3O — CID 106915794

IUPACN,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)CCCC1CCCN1
InChIInChI=1S/C13H27N3O/c1-11(13(17)14-2)10-16(3)9-5-7-12-6-4-8-15-12/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyYWTAXSASIAGCFF-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds7

About N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide

N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide (PubChem CID 106915794) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide
PubChem CID106915794
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)CCCC1CCCN1
InChIInChI=1S/C13H27N3O/c1-11(13(17)14-2)10-16(3)9-5-7-12-6-4-8-15-12/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyYWTAXSASIAGCFF-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-[methyl(1-piperidin-2-ylpropan-2-yl)amino]propanamide
CID 106918384
N-methyl-N-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpropan-1-amine
CID 81056390
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119818675
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
N-methyl-2-(3-piperidin-2-ylpropanoylamino)propanamide
CID 62212327
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-ethyl-N-(3-pyrrolidin-2-ylpropyl)butan-2-amine
CID 62479230
N,2-dimethyl-3-[methyl(piperidin-4-yl)amino]propanamide
CID 106915781
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
N-(2-methoxyethyl)-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 62212504

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide (CID 106915794) is N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide is CNC(=O)C(C)CN(C)CCCC1CCCN1.
What is the InChIKey of N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide?
The InChIKey is YWTAXSASIAGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(13(17)14-2)10-16(3)9-5-7-12-6-4-8-15-12/h11-12,15H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide?
N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl(3-pyrrolidin-2-ylpropyl)amino]propanamide is sourced from PubChem (CID 106915794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).