3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide

C15H30N2O — CID 83142761

IUPAC3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(C)C(C)(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-6-7-15(8-9-16-11-15)13(18)17-10-12(2)14(3,4)5/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyQTAMHZRBRUUAHC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.56
Rot. Bonds5

About 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide

3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide (PubChem CID 83142761) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
PubChem CID83142761
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(C)C(C)(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-6-7-15(8-9-16-11-15)13(18)17-10-12(2)14(3,4)5/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyQTAMHZRBRUUAHC-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide
CID 63141311
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide
CID 63128641
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide (CID 83142761) is 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)NCC(C)C(C)(C)C)CCNC1.
What is the InChIKey of 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is QTAMHZRBRUUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-7-15(8-9-16-11-15)13(18)17-10-12(2)14(3,4)5/h12,16H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide?
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 83142761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).