N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

C14H27N3O — CID 113282148

IUPACN-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(N)C1CC1
InChIInChI=1S/C14H27N3O/c1-9-4-5-10(2)17(9)11(3)14(18)16-8-13(15)12-6-7-12/h9-13H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyMIBKOWXZADPXMQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.10
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 113282148) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
PubChem CID113282148
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(N)C1CC1
InChIInChI=1S/C14H27N3O/c1-9-4-5-10(2)17(9)11(3)14(18)16-8-13(15)12-6-7-12/h9-13H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyMIBKOWXZADPXMQ-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (CID 113282148) is N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is CC1CCC(C)N1C(C)C(=O)NCC(N)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is MIBKOWXZADPXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-9-4-5-10(2)17(9)11(3)14(18)16-8-13(15)12-6-7-12/h9-13H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 253.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 113282148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).