N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide

C12H24N2O — CID 63005264

IUPACN-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCNC1
InChIInChI=1S/C12H24N2O/c1-9(2)4-5-10(3)14-12(15)11-6-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyBMEXPFLUHKGHRE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds5

About N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide

N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 63005264) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
PubChem CID63005264
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)C1CCNC1
InChIInChI=1S/C12H24N2O/c1-9(2)4-5-10(3)14-12(15)11-6-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyBMEXPFLUHKGHRE-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119863559
(3R)-N-[1-(dimethylamino)propan-2-yl]piperidine-3-carboxamide
CID 82945148
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide (CID 63005264) is N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide is CC(C)CCC(C)NC(=O)C1CCNC1.
What is the InChIKey of N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is BMEXPFLUHKGHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)4-5-10(3)14-12(15)11-6-7-13-8-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide?
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).