N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H28N2O2 — CID 111428245

IUPACN-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CCCCNC(=O)N1CCCC1CO
InChIInChI=1S/C14H28N2O2/c1-14(2,3)8-4-5-9-15-13(18)16-10-6-7-12(16)11-17/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyGONMVYQQRZZQKZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.37
Rot. Bonds5

About N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111428245) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111428245
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CCCCNC(=O)N1CCCC1CO
InChIInChI=1S/C14H28N2O2/c1-14(2,3)8-4-5-9-15-13(18)16-10-6-7-12(16)11-17/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyGONMVYQQRZZQKZ-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
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-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide
CID 111427923
(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111427784
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 61409614
2-(2,2-dimethylpropyl)-N-[3-(4-hydroxyphenyl)propyl]pyrrolidine-1-carboxamide
CID 86973291
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 66262468

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111428245) is N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(C)(C)CCCCNC(=O)N1CCCC1CO.
What is the InChIKey of N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is GONMVYQQRZZQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)8-4-5-9-15-13(18)16-10-6-7-12(16)11-17/h12,17H,4-11H2,1-3H3,(H,15,18).
What are the key properties of N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).