3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide

C14H27N3O — CID 103917229

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC1CCN2CCCC2C1
InChIInChI=1S/C14H27N3O/c1-14(2,13(18)15-3)10-16-11-6-8-17-7-4-5-12(17)9-11/h11-12,16H,4-10H2,1-3H3,(H,15,18)
InChIKeyHJWBZDGLKDVISQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds4

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide (PubChem CID 103917229) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide
PubChem CID103917229
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC1CCN2CCCC2C1
InChIInChI=1S/C14H27N3O/c1-14(2,13(18)15-3)10-16-11-6-8-17-7-4-5-12(17)9-11/h11-12,16H,4-10H2,1-3H3,(H,15,18)
InChIKeyHJWBZDGLKDVISQ-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-3-[(1-methylpyrrolidin-3-yl)amino]propanamide
CID 103824204
N,2,2-trimethyl-3-[(3-methylcyclobutyl)amino]propanamide
CID 104859958
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
CID 109395540
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103033505
(2S)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119854344
N,2,2-trimethyl-3-(thiolan-3-ylamino)propanamide
CID 104530421
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
CID 115765451
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide
CID 106113351
N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 106277918
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide (CID 103917229) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC1CCN2CCCC2C1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide?
The InChIKey is HJWBZDGLKDVISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,13(18)15-3)10-16-11-6-8-17-7-4-5-12(17)9-11/h11-12,16H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103917229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).