N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide

C13H21N3O — CID 93452032

IUPACN-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N)n1C
InChIInChI=1S/C13H21N3O/c1-9-7-8-12(16(9)2)13(17)15-11-6-4-3-5-10(11)14/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyMEJZDEIBBUNIDB-GHMZBOCLSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide

N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 93452032) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID93452032
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N)n1C
InChIInChI=1S/C13H21N3O/c1-9-7-8-12(16(9)2)13(17)15-11-6-4-3-5-10(11)14/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyMEJZDEIBBUNIDB-GHMZBOCLSA-N
XLogP1.33
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63251565
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
N-[(1R,2R)-2-aminocyclohexyl]-1-ethylpyrrole-2-carboxamide
CID 93451491
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213821
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide (CID 93452032) is N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N)n1C.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is MEJZDEIBBUNIDB-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-8-12(16(9)2)13(17)15-11-6-4-3-5-10(11)14/h7-8,10-11H,3-6,14H2,1-2H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 93452032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).