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

C19H21N — CID 12507137

IUPACN,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
SMILESCN(C)CCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C19H21N/c1-20(2)12-11-19-13-16(14-7-3-5-9-17(14)19)15-8-4-6-10-18(15)19/h3-10,16H,11-13H2,1-2H3
InChIKeyQVJQIVJNTRBABY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.77
Rot. Bonds3

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

N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine (PubChem CID 12507137) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
PubChem CID12507137
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
SMILESCN(C)CCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C19H21N/c1-20(2)12-11-19-13-16(14-7-3-5-9-17(14)19)15-8-4-6-10-18(15)19/h3-10,16H,11-13H2,1-2H3
InChIKeyQVJQIVJNTRBABY-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine (CID 12507137) is N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine is CN(C)CCC12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The InChIKey is QVJQIVJNTRBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-20(2)12-11-19-13-16(14-7-3-5-9-17(14)19)15-8-4-6-10-18(15)19/h3-10,16H,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine is sourced from PubChem (CID 12507137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).