2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

C15H27N3O — CID 62781118

IUPAC2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESNC1CCCCC1CC(=O)NC1CCN2CCCC12
InChIInChI=1S/C15H27N3O/c16-12-5-2-1-4-11(12)10-15(19)17-13-7-9-18-8-3-6-14(13)18/h11-14H,1-10,16H2,(H,17,19)
InChIKeyYAKWCMZZNVUHNI-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.25
Rot. Bonds3

About 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (PubChem CID 62781118) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
PubChem CID62781118
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESNC1CCCCC1CC(=O)NC1CCN2CCCC12
InChIInChI=1S/C15H27N3O/c16-12-5-2-1-4-11(12)10-15(19)17-13-7-9-18-8-3-6-14(13)18/h11-14H,1-10,16H2,(H,17,19)
InChIKeyYAKWCMZZNVUHNI-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 62781293
2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
2-(2-aminocyclohexyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 62781851
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857971
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propanamide
CID 71665848
2-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569486
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
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(ethylamino)propanamide
CID 62832914
7-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)heptanamide
CID 43705615
2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 78953701

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The IUPAC name of 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (CID 62781118) is 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.
What is the SMILES notation for 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The canonical SMILES for 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is NC1CCCCC1CC(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The InChIKey is YAKWCMZZNVUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-12-5-2-1-4-11(12)10-15(19)17-13-7-9-18-8-3-6-14(13)18/h11-14H,1-10,16H2,(H,17,19).
What are the key properties of 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is sourced from PubChem (CID 62781118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).