5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride

C20H32ClN — CID 70142476

IUPAC5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride
SMILESC1=C(c2cccc3c2CCCC3)CCCCCC1.CNC.Cl
InChIInChI=1S/C18H24.C2H7N.ClH/c1-2-4-9-15(10-5-3-1)18-14-8-12-16-11-6-7-13-17(16)18;1-3-2;/h8-9,12,14H,1-7,10-11,13H2;3H,1-2H3;1H
InChIKeyNLJVHVIXEPLZAP-UHFFFAOYSA-N
MW321.94 g/mol
LogP5.56
Rot. Bonds1

About 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride

5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride (PubChem CID 70142476) has the molecular formula C20H32ClN and a molecular weight of 321.94 g/mol. Its IUPAC name is 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride
PubChem CID70142476
Molecular FormulaC20H32ClN
Molecular Weight321.94 g/mol
Exact Mass321.22
IUPAC Name5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride
SMILESC1=C(c2cccc3c2CCCC3)CCCCCC1.CNC.Cl
InChIInChI=1S/C18H24.C2H7N.ClH/c1-2-4-9-15(10-5-3-1)18-14-8-12-16-11-6-7-13-17(16)18;1-3-2;/h8-9,12,14H,1-7,10-11,13H2;3H,1-2H3;1H
InChIKeyNLJVHVIXEPLZAP-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.94
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride?
The IUPAC name of 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride (CID 70142476) is 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride.
What is the SMILES notation for 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride?
The canonical SMILES for 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride is C1=C(c2cccc3c2CCCC3)CCCCCC1.CNC.Cl.
What is the InChIKey of 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride?
The InChIKey is NLJVHVIXEPLZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.C2H7N.ClH/c1-2-4-9-15(10-5-3-1)18-14-8-12-16-11-6-7-13-17(16)18;1-3-2;/h8-9,12,14H,1-7,10-11,13H2;3H,1-2H3;1H.
What are the key properties of 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride?
5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride has a molecular weight of 321.94 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 70142476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).