N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C16H31N3 — CID 114515203

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCN1CCC(CCNC2CCN3CCCCC23)CC1
InChIInChI=1S/C16H31N3/c1-18-11-6-14(7-12-18)5-9-17-15-8-13-19-10-3-2-4-16(15)19/h14-17H,2-13H2,1H3
InChIKeyQUNSRVQJZBIFSL-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 114515203) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID114515203
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCN1CCC(CCNC2CCN3CCCCC23)CC1
InChIInChI=1S/C16H31N3/c1-18-11-6-14(7-12-18)5-9-17-15-8-13-19-10-3-2-4-16(15)19/h14-17H,2-13H2,1H3
InChIKeyQUNSRVQJZBIFSL-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 114515257
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853529
N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
N-ethyl-2-(4-propylpiperidin-1-yl)cyclooctan-1-amine
CID 63469847
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115709714
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364941
N-ethyl-2-(4-propylpiperidin-1-yl)cycloheptan-1-amine
CID 63469846
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
CID 106333825
N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104574898
N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62311545

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 114515203) is N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CN1CCC(CCNC2CCN3CCCCC23)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is QUNSRVQJZBIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-18-11-6-14(7-12-18)5-9-17-15-8-13-19-10-3-2-4-16(15)19/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 114515203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).