(1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

C16H18N2 — CID 772457

IUPAC(1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC1(C)[C@H]2CC[C@]1(C)c1nc3ccccc3nc12
InChIInChI=1S/C16H18N2/c1-15(2)10-8-9-16(15,3)14-13(10)17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9H2,1-3H3/t10-,16+/m0/s1
InChIKeyNGUAUQBJYSZURH-MGPLVRAMSA-N
MW238.33 g/mol
LogP3.80
Rot. Bonds

About (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

(1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (PubChem CID 772457) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name(1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
PubChem CID772457
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC1(C)[C@H]2CC[C@]1(C)c1nc3ccccc3nc12
InChIInChI=1S/C16H18N2/c1-15(2)10-8-9-16(15,3)14-13(10)17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9H2,1-3H3/t10-,16+/m0/s1
InChIKeyNGUAUQBJYSZURH-MGPLVRAMSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The IUPAC name of (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (CID 772457) is (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The canonical SMILES for (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is CC1(C)[C@H]2CC[C@]1(C)c1nc3ccccc3nc12.
What is the InChIKey of (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The InChIKey is NGUAUQBJYSZURH-MGPLVRAMSA-N. The full InChI is InChI=1S/C16H18N2/c1-15(2)10-8-9-16(15,3)14-13(10)17-11-6-4-5-7-12(11)18-14/h4-7,10H,8-9H2,1-3H3/t10-,16+/m0/s1.
What are the key properties of (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
(1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene has a molecular weight of 238.33 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12R)-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 772457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).