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14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene

C20H21N — CID 171814428

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene
SMILESCN1Cc2ccccc2C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C20H21N/c1-21-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3
InChIKeyBNXXBXSOVPMIJG-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.12
Rot. Bonds

About 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene

14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene (PubChem CID 171814428) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene.

Molecular Properties

Compound Name14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene
PubChem CID171814428
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene
SMILESCN1Cc2ccccc2C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C20H21N/c1-21-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3
InChIKeyBNXXBXSOVPMIJG-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene?
The IUPAC name of 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene (CID 171814428) is 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene.
What is the SMILES notation for 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene?
The canonical SMILES for 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene is CN1Cc2ccccc2C2=C(CCCC2)c2ccccc21.
What is the InChIKey of 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene?
The InChIKey is BNXXBXSOVPMIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-21-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3.
What are the key properties of 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene?
14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene has a molecular weight of 275.39 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),8,10,12,16,18-heptaene is sourced from PubChem (CID 171814428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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