(2S)-N,N-dipentylpyrrolidine-2-carboxamide

C15H30N2O — CID 61165096

IUPAC(2S)-N,N-dipentylpyrrolidine-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H30N2O/c1-3-5-7-12-17(13-8-6-4-2)15(18)14-10-9-11-16-14/h14,16H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyWJZGHGHBYXWOLK-AWEZNQCLSA-N
MW254.42 g/mol
LogP2.95
Rot. Bonds9

About (2S)-N,N-dipentylpyrrolidine-2-carboxamide

(2S)-N,N-dipentylpyrrolidine-2-carboxamide (PubChem CID 61165096) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2S)-N,N-dipentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dipentylpyrrolidine-2-carboxamide
PubChem CID61165096
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2S)-N,N-dipentylpyrrolidine-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H30N2O/c1-3-5-7-12-17(13-8-6-4-2)15(18)14-10-9-11-16-14/h14,16H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyWJZGHGHBYXWOLK-AWEZNQCLSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
N-hexyl-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 54873129
N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide
CID 64561900
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-butyl-N-(2-methoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119322175
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
CID 102992833
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N,N-dibutyl-3-methylpiperidine-2-carboxamide
CID 62339284

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dipentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dipentylpyrrolidine-2-carboxamide (CID 61165096) is (2S)-N,N-dipentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dipentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dipentylpyrrolidine-2-carboxamide is CCCCCN(CCCCC)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N,N-dipentylpyrrolidine-2-carboxamide?
The InChIKey is WJZGHGHBYXWOLK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-7-12-17(13-8-6-4-2)15(18)14-10-9-11-16-14/h14,16H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N,N-dipentylpyrrolidine-2-carboxamide?
(2S)-N,N-dipentylpyrrolidine-2-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dipentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61165096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).