N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide

C15H31N3O — CID 63138470

IUPACN-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCN(CC)CC)CCNC1
InChIInChI=1S/C15H31N3O/c1-4-8-15(9-11-16-13-15)14(19)17-10-7-12-18(5-2)6-3/h16H,4-13H2,1-3H3,(H,17,19)
InChIKeySLJQFACCSYDDHU-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds9

About N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide

N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63138470) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63138470
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCN(CC)CC)CCNC1
InChIInChI=1S/C15H31N3O/c1-4-8-15(9-11-16-13-15)14(19)17-10-7-12-18(5-2)6-3/h16H,4-13H2,1-3H3,(H,17,19)
InChIKeySLJQFACCSYDDHU-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63141437
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
N-(2-cyclopentyloxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 55261464
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide (CID 63138470) is N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCCCN(CC)CC)CCNC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is SLJQFACCSYDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-8-15(9-11-16-13-15)14(19)17-10-7-12-18(5-2)6-3/h16H,4-13H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide?
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).