3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide

C16H23N3O — CID 78921069

IUPAC3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C16H23N3O/c17-16(20)13-4-1-3-12(9-13)11-18-14-6-8-19-7-2-5-15(19)10-14/h1,3-4,9,14-15,18H,2,5-8,10-11H2,(H2,17,20)
InChIKeyCDYAHNPPWMKWFH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.50
Rot. Bonds4

About 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide

3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide (PubChem CID 78921069) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
PubChem CID78921069
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C16H23N3O/c17-16(20)13-4-1-3-12(9-13)11-18-14-6-8-19-7-2-5-15(19)10-14/h1,3-4,9,14-15,18H,2,5-8,10-11H2,(H2,17,20)
InChIKeyCDYAHNPPWMKWFH-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112731894
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-3-bromobenzoic acid
CID 103260544
3-[[[(7aR)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-yl]amino]methyl]benzamide
CID 155955817
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide?
The IUPAC name of 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide (CID 78921069) is 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide.
What is the SMILES notation for 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide?
The canonical SMILES for 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide is NC(=O)c1cccc(CNC2CCN3CCCC3C2)c1.
What is the InChIKey of 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide?
The InChIKey is CDYAHNPPWMKWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(20)13-4-1-3-12(9-13)11-18-14-6-8-19-7-2-5-15(19)10-14/h1,3-4,9,14-15,18H,2,5-8,10-11H2,(H2,17,20).
What are the key properties of 3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide?
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide has a molecular weight of 273.38 g/mol, XLogP of 1.50, 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)methyl]benzamide is sourced from PubChem (CID 78921069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).