4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

C24H30ClNO — CID 21415010

IUPAC4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESCC(C)N1CCOC(CC23CCC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C24H29NO.ClH/c1-17(2)25-13-14-26-18(16-25)15-24-12-11-19(20-7-3-5-9-22(20)24)21-8-4-6-10-23(21)24;/h3-10,17-19H,11-16H2,1-2H3;1H
InChIKeyTWNJUJUAEMMTHC-UHFFFAOYSA-N
MW383.96 g/mol
LogP5.13
Rot. Bonds3

About 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (PubChem CID 21415010) has the molecular formula C24H30ClNO and a molecular weight of 383.96 g/mol. Its IUPAC name is 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
PubChem CID21415010
Molecular FormulaC24H30ClNO
Molecular Weight383.96 g/mol
Exact Mass383.20
IUPAC Name4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESCC(C)N1CCOC(CC23CCC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C24H29NO.ClH/c1-17(2)25-13-14-26-18(16-25)15-24-12-11-19(20-7-3-5-9-22(20)24)21-8-4-6-10-23(21)24;/h3-10,17-19H,11-16H2,1-2H3;1H
InChIKeyTWNJUJUAEMMTHC-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.96
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The IUPAC name of 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (CID 21415010) is 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The canonical SMILES for 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is CC(C)N1CCOC(CC23CCC(c4ccccc42)c2ccccc23)C1.Cl.
What is the InChIKey of 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The InChIKey is TWNJUJUAEMMTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO.ClH/c1-17(2)25-13-14-26-18(16-25)15-24-12-11-19(20-7-3-5-9-22(20)24)21-8-4-6-10-23(21)24;/h3-10,17-19H,11-16H2,1-2H3;1H.
What are the key properties of 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride has a molecular weight of 383.96 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 21415010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).