N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride

C18H20ClN — CID 12507134

IUPACN,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride
SMILESCN(C)CC12CC(c3ccccc31)c1ccccc12.Cl
InChIInChI=1S/C18H19N.ClH/c1-19(2)12-18-11-15(13-7-3-5-9-16(13)18)14-8-4-6-10-17(14)18;/h3-10,15H,11-12H2,1-2H3;1H
InChIKeyVTQHZTJFUBYWLY-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.81
Rot. Bonds2

About N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride

N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride (PubChem CID 12507134) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride
PubChem CID12507134
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride
SMILESCN(C)CC12CC(c3ccccc31)c1ccccc12.Cl
InChIInChI=1S/C18H19N.ClH/c1-19(2)12-18-11-15(13-7-3-5-9-16(13)18)14-8-4-6-10-17(14)18;/h3-10,15H,11-12H2,1-2H3;1H
InChIKeyVTQHZTJFUBYWLY-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride (CID 12507134) is N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride is CN(C)CC12CC(c3ccccc31)c1ccccc12.Cl.
What is the InChIKey of N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride?
The InChIKey is VTQHZTJFUBYWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-19(2)12-18-11-15(13-7-3-5-9-16(13)18)14-8-4-6-10-17(14)18;/h3-10,15H,11-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride?
N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine;hydrochloride is sourced from PubChem (CID 12507134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).