5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide

C17H31N3O — CID 102706847

IUPAC5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NC2CCN3CCCC3C2)CC1N
InChIInChI=1S/C17H31N3O/c1-11-8-12(2)16(18)10-15(11)17(21)19-13-5-7-20-6-3-4-14(20)9-13/h11-16H,3-10,18H2,1-2H3,(H,19,21)
InChIKeyPAZNUJLDEKBMMS-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.74
Rot. Bonds2

About 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706847) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706847
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)NC2CCN3CCCC3C2)CC1N
InChIInChI=1S/C17H31N3O/c1-11-8-12(2)16(18)10-15(11)17(21)19-13-5-7-20-6-3-4-14(20)9-13/h11-16H,3-10,18H2,1-2H3,(H,19,21)
InChIKeyPAZNUJLDEKBMMS-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

(2S)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119854344
(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 102706440
(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride
CID 119854314
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983234
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide
CID 106113351
5-amino-2,4-dimethyl-N-(6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 102706749
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-sulfanylpropanamide
CID 107033181
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 81494437
N-(3-aminocyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 130816162
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-cyclopropylthiourea
CID 115583574
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)morpholine-2-carboxamide;dihydrochloride
CID 119854357
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide;dihydrochloride
CID 119854320

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide (CID 102706847) is 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide is CC1CC(C)C(C(=O)NC2CCN3CCCC3C2)CC1N.
What is the InChIKey of 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is PAZNUJLDEKBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-11-8-12(2)16(18)10-15(11)17(21)19-13-5-7-20-6-3-4-14(20)9-13/h11-16H,3-10,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).