N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline

C24H23N — CID 67560027

IUPACN-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline
SMILESCNc1cccc(C2(C)c3ccccc3C3C[C@H]3c3ccccc32)c1
InChIInChI=1S/C24H23N/c1-24(16-8-7-9-17(14-16)25-2)22-12-5-3-10-18(22)20-15-21(20)19-11-4-6-13-23(19)24/h3-14,20-21,25H,15H2,1-2H3/t20-,21?,24?/m0/s1
InChIKeyKVCNKSMDUMUIRV-MFMCRYCZSA-N
MW325.46 g/mol
LogP5.67
Rot. Bonds2

About N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline

N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline (PubChem CID 67560027) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline
PubChem CID67560027
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC NameN-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline
SMILESCNc1cccc(C2(C)c3ccccc3C3C[C@H]3c3ccccc32)c1
InChIInChI=1S/C24H23N/c1-24(16-8-7-9-17(14-16)25-2)22-12-5-3-10-18(22)20-15-21(20)19-11-4-6-13-23(19)24/h3-14,20-21,25H,15H2,1-2H3/t20-,21?,24?/m0/s1
InChIKeyKVCNKSMDUMUIRV-MFMCRYCZSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline?
The IUPAC name of N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline (CID 67560027) is N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline.
What is the SMILES notation for N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline?
The canonical SMILES for N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline is CNc1cccc(C2(C)c3ccccc3C3C[C@H]3c3ccccc32)c1.
What is the InChIKey of N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline?
The InChIKey is KVCNKSMDUMUIRV-MFMCRYCZSA-N. The full InChI is InChI=1S/C24H23N/c1-24(16-8-7-9-17(14-16)25-2)22-12-5-3-10-18(22)20-15-21(20)19-11-4-6-13-23(19)24/h3-14,20-21,25H,15H2,1-2H3/t20-,21?,24?/m0/s1.
What are the key properties of N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline?
N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline has a molecular weight of 325.46 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4R)-11-methyl-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]aniline is sourced from PubChem (CID 67560027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).