N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

C13H25ClN2O — CID 119640656

IUPACN-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1C2CCCC21.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-3-13(14,4-2)8-15-12(16)11-9-6-5-7-10(9)11;/h9-11H,3-8,14H2,1-2H3,(H,15,16);1H
InChIKeyJWEUUNJNNFGVRB-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.09
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 119640656) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID119640656
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1C2CCCC21.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-3-13(14,4-2)8-15-12(16)11-9-6-5-7-10(9)11;/h9-11H,3-8,14H2,1-2H3,(H,15,16);1H
InChIKeyJWEUUNJNNFGVRB-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 111750779
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(2-amino-2-ethylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107181003
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 119640656) is N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1C2CCCC21.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is JWEUUNJNNFGVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-3-13(14,4-2)8-15-12(16)11-9-6-5-7-10(9)11;/h9-11H,3-8,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 119640656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).