2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide

C15H31N3O — CID 106615376

IUPAC2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(CC)CC1CCCN1
InChIInChI=1S/C15H31N3O/c1-4-6-7-10-17-15(19)13(3)18(5-2)12-14-9-8-11-16-14/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyMOKZHAUAXNYOSW-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds9

About 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide (PubChem CID 106615376) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
PubChem CID106615376
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(CC)CC1CCCN1
InChIInChI=1S/C15H31N3O/c1-4-6-7-10-17-15(19)13(3)18(5-2)12-14-9-8-11-16-14/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyMOKZHAUAXNYOSW-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
CID 106616707
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106615136
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617964
N-heptan-2-yl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614832
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617035

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide (CID 106615376) is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)N(CC)CC1CCCN1.
What is the InChIKey of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide?
The InChIKey is MOKZHAUAXNYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-6-7-10-17-15(19)13(3)18(5-2)12-14-9-8-11-16-14/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide?
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 106615376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).