N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide

C12H24N2O — CID 115629639

IUPACN-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10(12(2,3)4)9-13-11(15)14-7-5-6-8-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyVMYJODIQUXFADS-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds2

About N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide

N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide (PubChem CID 115629639) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
PubChem CID115629639
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10(12(2,3)4)9-13-11(15)14-7-5-6-8-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyVMYJODIQUXFADS-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(methylamino)propyl]pyrrolidine-1-carboxamide
CID 103512851
1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
CID 83143576
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 107158894
N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
CID 115763587
N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
CID 115302691
N-(2-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115760436
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide (CID 115629639) is N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide is CC(CNC(=O)N1CCCC1)C(C)(C)C.
What is the InChIKey of N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide?
The InChIKey is VMYJODIQUXFADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(12(2,3)4)9-13-11(15)14-7-5-6-8-14/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide?
N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115629639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).