N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine

C19H22N2 — CID 70636802

IUPACN-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine
SMILESCNC1CCN2c3ccccc3Cc3ccccc3C2C1
InChIInChI=1S/C19H22N2/c1-20-16-10-11-21-18-9-5-3-7-15(18)12-14-6-2-4-8-17(14)19(21)13-16/h2-9,16,19-20H,10-13H2,1H3
InChIKeySSLBADGBPOGFNE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.52
Rot. Bonds1

About N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine

N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine (PubChem CID 70636802) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine.

Molecular Properties

Compound NameN-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine
PubChem CID70636802
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine
SMILESCNC1CCN2c3ccccc3Cc3ccccc3C2C1
InChIInChI=1S/C19H22N2/c1-20-16-10-11-21-18-9-5-3-7-15(18)12-14-6-2-4-8-17(14)19(21)13-16/h2-9,16,19-20H,10-13H2,1H3
InChIKeySSLBADGBPOGFNE-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine?
The IUPAC name of N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine (CID 70636802) is N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine.
What is the SMILES notation for N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine?
The canonical SMILES for N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine is CNC1CCN2c3ccccc3Cc3ccccc3C2C1.
What is the InChIKey of N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine?
The InChIKey is SSLBADGBPOGFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-20-16-10-11-21-18-9-5-3-7-15(18)12-14-6-2-4-8-17(14)19(21)13-16/h2-9,16,19-20H,10-13H2,1H3.
What are the key properties of N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine?
N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine has a molecular weight of 278.40 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine is sourced from PubChem (CID 70636802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).