2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride

C12H23ClN2O — CID 119327587

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NC1CC2CCC1C2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-7(2)11(13)12(15)14-10-6-8-3-4-9(10)5-8;/h7-11H,3-6,13H2,1-2H3,(H,14,15);1H
InChIKeyOLOZJLVKLFHYKN-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.70
Rot. Bonds3

About 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride

2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride (PubChem CID 119327587) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
PubChem CID119327587
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NC1CC2CCC1C2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-7(2)11(13)12(15)14-10-6-8-3-4-9(10)5-8;/h7-11H,3-6,13H2,1-2H3,(H,14,15);1H
InChIKeyOLOZJLVKLFHYKN-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
CID 77045509
2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
CID 119957470
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
CID 103798202
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
CID 103796865
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
CID 130965044
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
CID 142647883

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride (CID 119327587) is 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride is CC(C)C(N)C(=O)NC1CC2CCC1C2.Cl.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride?
The InChIKey is OLOZJLVKLFHYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-7(2)11(13)12(15)14-10-6-8-3-4-9(10)5-8;/h7-11H,3-6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride?
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119327587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).