5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine

C17H20ClN — CID 79597401

IUPAC5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
SMILESCNC1CC(C)CCc2c1cc(Cl)c1ccccc21
InChIInChI=1S/C17H20ClN/c1-11-7-8-13-12-5-3-4-6-14(12)16(18)10-15(13)17(9-11)19-2/h3-6,10-11,17,19H,7-9H2,1-2H3
InChIKeyOSWMJHAOSNXWQE-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.73
Rot. Bonds1

About 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine

5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (PubChem CID 79597401) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine.

Molecular Properties

Compound Name5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
PubChem CID79597401
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
SMILESCNC1CC(C)CCc2c1cc(Cl)c1ccccc21
InChIInChI=1S/C17H20ClN/c1-11-7-8-13-12-5-3-4-6-14(12)16(18)10-15(13)17(9-11)19-2/h3-6,10-11,17,19H,7-9H2,1-2H3
InChIKeyOSWMJHAOSNXWQE-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The IUPAC name of 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (CID 79597401) is 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine.
What is the SMILES notation for 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The canonical SMILES for 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine is CNC1CC(C)CCc2c1cc(Cl)c1ccccc21.
What is the InChIKey of 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The InChIKey is OSWMJHAOSNXWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-7-8-13-12-5-3-4-6-14(12)16(18)10-15(13)17(9-11)19-2/h3-6,10-11,17,19H,7-9H2,1-2H3.
What are the key properties of 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine has a molecular weight of 273.81 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,9-dimethyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine is sourced from PubChem (CID 79597401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).