1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine

C18H23N3 — CID 117451861

IUPAC1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine
SMILESCn1c2c(c3cc(C4(N)CCC4)ccc31)C1CCN2CC1
InChIInChI=1S/C18H23N3/c1-20-15-4-3-13(18(19)7-2-8-18)11-14(15)16-12-5-9-21(10-6-12)17(16)20/h3-4,11-12H,2,5-10,19H2,1H3
InChIKeyORHAZTKHFMFXDR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.21
Rot. Bonds1

About 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine

1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine (PubChem CID 117451861) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine
PubChem CID117451861
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine
SMILESCn1c2c(c3cc(C4(N)CCC4)ccc31)C1CCN2CC1
InChIInChI=1S/C18H23N3/c1-20-15-4-3-13(18(19)7-2-8-18)11-14(15)16-12-5-9-21(10-6-12)17(16)20/h3-4,11-12H,2,5-10,19H2,1H3
InChIKeyORHAZTKHFMFXDR-UHFFFAOYSA-N
XLogP3.21
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine?
The IUPAC name of 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine (CID 117451861) is 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine is Cn1c2c(c3cc(C4(N)CCC4)ccc31)C1CCN2CC1.
What is the InChIKey of 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine?
The InChIKey is ORHAZTKHFMFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20-15-4-3-13(18(19)7-2-8-18)11-14(15)16-12-5-9-21(10-6-12)17(16)20/h3-4,11-12H,2,5-10,19H2,1H3.
What are the key properties of 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine?
1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 117451861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).