N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide

C13H22N2O — CID 81478190

IUPACN-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESNC1CCC(NC(=O)C2C3CCCC32)CC1
InChIInChI=1S/C13H22N2O/c14-8-4-6-9(7-5-8)15-13(16)12-10-2-1-3-11(10)12/h8-12H,1-7,14H2,(H,15,16)
InChIKeyLQIPMBGJVCFUEO-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.42
Rot. Bonds2

About N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 81478190) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID81478190
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESNC1CCC(NC(=O)C2C3CCCC32)CC1
InChIInChI=1S/C13H22N2O/c14-8-4-6-9(7-5-8)15-13(16)12-10-2-1-3-11(10)12/h8-12H,1-7,14H2,(H,15,16)
InChIKeyLQIPMBGJVCFUEO-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride
CID 119477426
N-piperidin-4-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
CID 119388101
N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide
CID 119474847
(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 814819
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673254
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114632374
(5-aminocyclooctyl)carbamic acid
CID 89189209

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 81478190) is N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide is NC1CCC(NC(=O)C2C3CCCC32)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LQIPMBGJVCFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-8-4-6-9(7-5-8)15-13(16)12-10-2-1-3-11(10)12/h8-12H,1-7,14H2,(H,15,16).
What are the key properties of N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 81478190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).