N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide

C15H25N3O — CID 119383110

IUPACN-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(C)n1C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11-10-14(15(19)17-9-8-16)12(2)18(11)13-6-4-3-5-7-13/h10,13H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyJRJPXOFBSKUXIY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds4

About N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide

N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 119383110) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID119383110
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(C)n1C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11-10-14(15(19)17-9-8-16)12(2)18(11)13-6-4-3-5-7-13/h10,13H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyJRJPXOFBSKUXIY-UHFFFAOYSA-N
XLogP2.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120603680
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119522503
1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119556387
1-cyclohexyl-N-[2-(furan-2-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55483175
1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55683303
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34729662
1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119425757
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119456498
1-cyclopropyl-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9456045
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9402857
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172084

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (CID 119383110) is N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCN)c(C)n1C1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JRJPXOFBSKUXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-10-14(15(19)17-9-8-16)12(2)18(11)13-6-4-3-5-7-13/h10,13H,3-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119383110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).