17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

C19H21N — CID 15650275

IUPAC17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESCC(C)N1CC2c3ccccc3CC1c1ccccc12
InChIInChI=1S/C19H21N/c1-13(2)20-12-18-15-8-4-3-7-14(15)11-19(20)17-10-6-5-9-16(17)18/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyKGILZEYELXMKRP-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.14
Rot. Bonds1

About 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene

17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (PubChem CID 15650275) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.

Molecular Properties

Compound Name17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
PubChem CID15650275
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
SMILESCC(C)N1CC2c3ccccc3CC1c1ccccc12
InChIInChI=1S/C19H21N/c1-13(2)20-12-18-15-8-4-3-7-14(15)11-19(20)17-10-6-5-9-16(17)18/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyKGILZEYELXMKRP-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The IUPAC name of 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene (CID 15650275) is 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene.
What is the SMILES notation for 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The canonical SMILES for 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is CC(C)N1CC2c3ccccc3CC1c1ccccc12.
What is the InChIKey of 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
The InChIKey is KGILZEYELXMKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-13(2)20-12-18-15-8-4-3-7-14(15)11-19(20)17-10-6-5-9-16(17)18/h3-10,13,18-19H,11-12H2,1-2H3.
What are the key properties of 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene?
17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene has a molecular weight of 263.38 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-propan-2-yl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene is sourced from PubChem (CID 15650275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).