3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide

C14H27N3O — CID 79313512

IUPAC3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)CCNC1CC1
InChIInChI=1S/C14H27N3O/c1-3-17-10-4-5-13(17)11-16(2)14(18)8-9-15-12-6-7-12/h12-13,15H,3-11H2,1-2H3
InChIKeyOOPPEVOOQWITAF-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds7

About 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide

3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide (PubChem CID 79313512) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
PubChem CID79313512
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)CCNC1CC1
InChIInChI=1S/C14H27N3O/c1-3-17-10-4-5-13(17)11-16(2)14(18)8-9-15-12-6-7-12/h12-13,15H,3-11H2,1-2H3
InChIKeyOOPPEVOOQWITAF-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 79303982
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]propanamide
CID 79314990
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79314488
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpentanamide
CID 79314761
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 79313817

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide (CID 79313512) is 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide is CCN1CCCC1CN(C)C(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
The InChIKey is OOPPEVOOQWITAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-17-10-4-5-13(17)11-16(2)14(18)8-9-15-12-6-7-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide?
3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 79313512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).