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

C18H19N — CID 12507133

IUPACN,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine
SMILESCN(C)CC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H19N/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
InChIKeyCZHPFYGDQCLPGW-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.38
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

N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine (PubChem CID 12507133) has the molecular formula C18H19N and a molecular weight of 249.36 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.

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
PubChem CID12507133
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine
SMILESCN(C)CC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C18H19N/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
InChIKeyCZHPFYGDQCLPGW-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.38
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?
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 (CID 12507133) is N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine.
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?
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 is CN(C)CC12CC(c3ccccc31)c1ccccc12.
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?
The InChIKey is CZHPFYGDQCLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/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.
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?
N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine has a molecular weight of 249.36 g/mol, XLogP of 3.38, 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 is sourced from PubChem (CID 12507133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).