N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide

C17H35N3O — CID 63140971

IUPACN-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC(C)CCCN(CC)CC)CCNC1
InChIInChI=1S/C17H35N3O/c1-5-10-17(11-12-18-14-17)16(21)19-15(4)9-8-13-20(6-2)7-3/h15,18H,5-14H2,1-4H3,(H,19,21)
InChIKeyWFKSPIUSVLVFHZ-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.39
Rot. Bonds10

About N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide

N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63140971) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63140971
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC(C)CCCN(CC)CC)CCNC1
InChIInChI=1S/C17H35N3O/c1-5-10-17(11-12-18-14-17)16(21)19-15(4)9-8-13-20(6-2)7-3/h15,18H,5-14H2,1-4H3,(H,19,21)
InChIKeyWFKSPIUSVLVFHZ-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide (CID 63140971) is N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC(C)CCCN(CC)CC)CCNC1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is WFKSPIUSVLVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-10-17(11-12-18-14-17)16(21)19-15(4)9-8-13-20(6-2)7-3/h15,18H,5-14H2,1-4H3,(H,19,21).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 297.49 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).