N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride

C18H20ClN — CID 12533722

IUPACN-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride
SMILESC=C1c2ccccc2CC(NC)Cc2ccccc21.Cl
InChIInChI=1S/C18H19N.ClH/c1-13-17-9-5-3-7-14(17)11-16(19-2)12-15-8-4-6-10-18(13)15;/h3-10,16,19H,1,11-12H2,2H3;1H
InChIKeyCMIFMYPBOVHEIG-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.86
Rot. Bonds1

About N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride

N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride (PubChem CID 12533722) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride
PubChem CID12533722
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride
SMILESC=C1c2ccccc2CC(NC)Cc2ccccc21.Cl
InChIInChI=1S/C18H19N.ClH/c1-13-17-9-5-3-7-14(17)11-16(19-2)12-15-8-4-6-10-18(13)15;/h3-10,16,19H,1,11-12H2,2H3;1H
InChIKeyCMIFMYPBOVHEIG-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride?
The IUPAC name of N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride (CID 12533722) is N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride?
The canonical SMILES for N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride is C=C1c2ccccc2CC(NC)Cc2ccccc21.Cl.
What is the InChIKey of N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride?
The InChIKey is CMIFMYPBOVHEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-13-17-9-5-3-7-14(17)11-16(19-2)12-15-8-4-6-10-18(13)15;/h3-10,16,19H,1,11-12H2,2H3;1H.
What are the key properties of N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride?
N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidenetricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-amine;hydrochloride is sourced from PubChem (CID 12533722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).