N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

C11H23N3O — CID 82508742

IUPACN-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)N(CCN)C(=O)N1CCCC1C
InChIInChI=1S/C11H23N3O/c1-9(2)13(8-6-12)11(15)14-7-4-5-10(14)3/h9-10H,4-8,12H2,1-3H3
InChIKeyGBXBGWFNGHPXOW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds3

About N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 82508742) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID82508742
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)N(CCN)C(=O)N1CCCC1C
InChIInChI=1S/C11H23N3O/c1-9(2)13(8-6-12)11(15)14-7-4-5-10(14)3/h9-10H,4-8,12H2,1-3H3
InChIKeyGBXBGWFNGHPXOW-UHFFFAOYSA-N
XLogP1.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (CID 82508742) is N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)N(CCN)C(=O)N1CCCC1C.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is GBXBGWFNGHPXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)13(8-6-12)11(15)14-7-4-5-10(14)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 82508742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).