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

C12H21N3O — CID 65465504

IUPAC1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCN3CCCCC23)CC1
InChIInChI=1S/C12H21N3O/c13-12(5-6-12)11(16)14-9-4-8-15-7-2-1-3-10(9)15/h9-10H,1-8,13H2,(H,14,16)
InChIKeyLNMUOQDCBUWIJD-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.22
Rot. Bonds2

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

1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide (PubChem CID 65465504) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
PubChem CID65465504
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCN3CCCCC23)CC1
InChIInChI=1S/C12H21N3O/c13-12(5-6-12)11(16)14-9-4-8-15-7-2-1-3-10(9)15/h9-10H,1-8,13H2,(H,14,16)
InChIKeyLNMUOQDCBUWIJD-UHFFFAOYSA-N
XLogP0.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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)acetamide
CID 60770068
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-ethylpiperidine-4-carboxamide
CID 63127974
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
CID 43698480
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835591
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
CID 61264414
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
CID 119857974
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 94121152
cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
CID 94121437

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide (CID 65465504) is 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide is NC1(C(=O)NC2CCN3CCCCC23)CC1.
What is the InChIKey of 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide?
The InChIKey is LNMUOQDCBUWIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-12(5-6-12)11(16)14-9-4-8-15-7-2-1-3-10(9)15/h9-10H,1-8,13H2,(H,14,16).
What are the key properties of 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide?
1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).