3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C12H21ClN2O — CID 119726919

IUPAC3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCC1
InChIInChI=1S/C12H20N2O.ClH/c13-11-8-5-4-7(6-8)10(11)12(15)14-9-2-1-3-9;/h7-11H,1-6,13H2,(H,14,15);1H
InChIKeyDECMTWJLYLEZLP-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.45
Rot. Bonds2

About 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119726919) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119726919
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCC1
InChIInChI=1S/C12H20N2O.ClH/c13-11-8-5-4-7(6-8)10(11)12(15)14-9-2-1-3-9;/h7-11H,1-6,13H2,(H,14,15);1H
InChIKeyDECMTWJLYLEZLP-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119895169
3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103811724
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854201
3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119834897
3-amino-N-(1-ethylsulfonylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119702890
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629
N-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103759905
3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
CID 79194327
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119734033
9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 67196901
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 43865924

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119726919) is 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NC1CCC1.
What is the InChIKey of 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is DECMTWJLYLEZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c13-11-8-5-4-7(6-8)10(11)12(15)14-9-2-1-3-9;/h7-11H,1-6,13H2,(H,14,15);1H.
What are the key properties of 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119726919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).