N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine

C18H17N — CID 13049760

IUPACN,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine
SMILESCN(C)C12C=CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H17N/c1-19(2)18-12-11-13(14-7-3-5-9-16(14)18)15-8-4-6-10-17(15)18/h3-13H,1-2H3
InChIKeyRFEBOVJFIAZQFP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.51
Rot. Bonds1

About N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine

N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine (PubChem CID 13049760) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine.

Molecular Properties

Compound NameN,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine
PubChem CID13049760
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine
SMILESCN(C)C12C=CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H17N/c1-19(2)18-12-11-13(14-7-3-5-9-16(14)18)15-8-4-6-10-17(15)18/h3-13H,1-2H3
InChIKeyRFEBOVJFIAZQFP-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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spiro[2,4a-dihydrofluorene-9,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one
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2-phenyl-4-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)-6-triphenylen-2-yl-1,3,5-triazine
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3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
15-N,15-N,16-N,16-N,1,8-hexamethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine?
The IUPAC name of N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine (CID 13049760) is N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine.
What is the SMILES notation for N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine?
The canonical SMILES for N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine is CN(C)C12C=CC(c3ccccc31)c1ccccc12.
What is the InChIKey of N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine?
The InChIKey is RFEBOVJFIAZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-19(2)18-12-11-13(14-7-3-5-9-16(14)18)15-8-4-6-10-17(15)18/h3-13H,1-2H3.
What are the key properties of N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine?
N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaen-1-amine is sourced from PubChem (CID 13049760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).