N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride

C12H25ClN2O2 — CID 119998020

IUPACN-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCC1CCC(C)O1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(7-13)8-14-12(15)6-5-11-4-3-10(2)16-11;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyGADCZLQHYNKPFL-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.47
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride (PubChem CID 119998020) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride
PubChem CID119998020
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC NameN-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCC1CCC(C)O1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(7-13)8-14-12(15)6-5-11-4-3-10(2)16-11;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H
InChIKeyGADCZLQHYNKPFL-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide
CID 119607721
2,2-dimethyl-3-[3-[(2S,5S)-5-methyloxolan-2-yl]propanoylamino]propanoic acid
CID 124694239
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
3-(5-methyloxolan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388756
3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447660
(2R)-2-[[3-[(2R,5R)-5-methyloxolan-2-yl]propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 124689298
2-[[3-(5-methyloxolan-2-yl)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243156
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
3-(5-methyloxolan-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557859
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(5-methyloxolan-2-yl)propanamide;hydrochloride
CID 119655368
N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
CID 115271802

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride (CID 119998020) is N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride is CC(CN)CNC(=O)CCC1CCC(C)O1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride?
The InChIKey is GADCZLQHYNKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9(7-13)8-14-12(15)6-5-11-4-3-10(2)16-11;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119998020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).