N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine

C20H29NO — CID 28379

IUPACN,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine
SMILESCN(C)CCOC12CCC(c3ccccc31)C1CCCCC12
InChIInChI=1S/C20H29NO/c1-21(2)13-14-22-20-12-11-15(16-7-3-5-9-18(16)20)17-8-4-6-10-19(17)20/h3,5,7,9,15,17,19H,4,6,8,10-14H2,1-2H3
InChIKeyIXISOFCFAQQQGT-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.16
Rot. Bonds4

About N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine

N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine (PubChem CID 28379) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine
PubChem CID28379
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine
SMILESCN(C)CCOC12CCC(c3ccccc31)C1CCCCC12
InChIInChI=1S/C20H29NO/c1-21(2)13-14-22-20-12-11-15(16-7-3-5-9-18(16)20)17-8-4-6-10-19(17)20/h3,5,7,9,15,17,19H,4,6,8,10-14H2,1-2H3
InChIKeyIXISOFCFAQQQGT-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine (CID 28379) is N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine is CN(C)CCOC12CCC(c3ccccc31)C1CCCCC12.
What is the InChIKey of N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine?
The InChIKey is IXISOFCFAQQQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-21(2)13-14-22-20-12-11-15(16-7-3-5-9-18(16)20)17-8-4-6-10-19(17)20/h3,5,7,9,15,17,19H,4,6,8,10-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine?
N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine has a molecular weight of 299.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethanamine is sourced from PubChem (CID 28379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).