2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide

C16H29N3O — CID 62781293

IUPAC2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
SMILESNC1CCCC(CC(=O)NC2CCN3CCCCC23)C1
InChIInChI=1S/C16H29N3O/c17-13-5-3-4-12(10-13)11-16(20)18-14-7-9-19-8-2-1-6-15(14)19/h12-15H,1-11,17H2,(H,18,20)
InChIKeyNTDFMKMXWYXFNX-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.64
Rot. Bonds3

About 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide

2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide (PubChem CID 62781293) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
PubChem CID62781293
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
SMILESNC1CCCC(CC(=O)NC2CCN3CCCCC23)C1
InChIInChI=1S/C16H29N3O/c17-13-5-3-4-12(10-13)11-16(20)18-14-7-9-19-8-2-1-6-15(14)19/h12-15H,1-11,17H2,(H,18,20)
InChIKeyNTDFMKMXWYXFNX-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 62781118
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
2-(3-aminocyclohexyl)-N-cyclooctylacetamide
CID 55116896
2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335
3-(aminomethyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)cyclohexane-1-carboxamide
CID 62807129
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
2-(1-aminocyclopentyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 64684823
7-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)heptanamide
CID 43705615
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
CID 62832914
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
CID 119857974
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857971

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide (CID 62781293) is 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide is NC1CCCC(CC(=O)NC2CCN3CCCCC23)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide?
The InChIKey is NTDFMKMXWYXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c17-13-5-3-4-12(10-13)11-16(20)18-14-7-9-19-8-2-1-6-15(14)19/h12-15H,1-11,17H2,(H,18,20).
What are the key properties of 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide?
2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide has a molecular weight of 279.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide is sourced from PubChem (CID 62781293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).