N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine

C16H23N — CID 113319273

IUPACN-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine
SMILESCCNC1CCC(C)c2cc3c(cc21)CCC3
InChIInChI=1S/C16H23N/c1-3-17-16-8-7-11(2)14-9-12-5-4-6-13(12)10-15(14)16/h9-11,16-17H,3-8H2,1-2H3
InChIKeyJBXMCCMGKXFEOE-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.72
Rot. Bonds2

About N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine

N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine (PubChem CID 113319273) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine.

Molecular Properties

Compound NameN-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine
PubChem CID113319273
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine
SMILESCCNC1CCC(C)c2cc3c(cc21)CCC3
InChIInChI=1S/C16H23N/c1-3-17-16-8-7-11(2)14-9-12-5-4-6-13(12)10-15(14)16/h9-11,16-17H,3-8H2,1-2H3
InChIKeyJBXMCCMGKXFEOE-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-ol
CID 115483235
7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305756
(1R)-4-methyl-1,2,3,4,5,6,7,8-octahydroanthracen-1-ol
CID 115483213
1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 84754057
3-chloro-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62735993
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
CID 43537687
3,10-dimethyl-N-propyl-3,4,7,8,9,10-hexahydro-2H-benzo[h][1,5]benzodioxepin-7-amine
CID 115417710
3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63515103
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418118
N-ethyl-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687105
7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine?
The IUPAC name of N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine (CID 113319273) is N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine.
What is the SMILES notation for N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine?
The canonical SMILES for N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine is CCNC1CCC(C)c2cc3c(cc21)CCC3.
What is the InChIKey of N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine?
The InChIKey is JBXMCCMGKXFEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-17-16-8-7-11(2)14-9-12-5-4-6-13(12)10-15(14)16/h9-11,16-17H,3-8H2,1-2H3.
What are the key properties of N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine?
N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine has a molecular weight of 229.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[g]naphthalen-5-amine is sourced from PubChem (CID 113319273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).