N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C19H28N2 — CID 63771247

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESc1ccc2c(c1)CCCC2CNC1CCN2CCCCC12
InChIInChI=1S/C19H28N2/c1-2-9-17-15(6-1)7-5-8-16(17)14-20-18-11-13-21-12-4-3-10-19(18)21/h1-2,6,9,16,18-20H,3-5,7-8,10-14H2
InChIKeyLBJWNDGRNBNEAR-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.32
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 63771247) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID63771247
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESc1ccc2c(c1)CCCC2CNC1CCN2CCCCC12
InChIInChI=1S/C19H28N2/c1-2-9-17-15(6-1)7-5-8-16(17)14-20-18-11-13-21-12-4-3-10-19(18)21/h1-2,6,9,16,18-20H,3-5,7-8,10-14H2
InChIKeyLBJWNDGRNBNEAR-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772601
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63994320
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-2-yl]methanamine
CID 63771773
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 63771247) is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is c1ccc2c(c1)CCCC2CNC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is LBJWNDGRNBNEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-9-17-15(6-1)7-5-8-16(17)14-20-18-11-13-21-12-4-3-10-19(18)21/h1-2,6,9,16,18-20H,3-5,7-8,10-14H2.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 284.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 63771247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).