9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene

C18H24N2 — CID 130265724

IUPAC9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene
SMILESCC(C)n1c2c(c3ccccc31)C1CCCN(CC1)C2
InChIInChI=1S/C18H24N2/c1-13(2)20-16-8-4-3-7-15(16)18-14-6-5-10-19(11-9-14)12-17(18)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3
InChIKeyIBAOAUUVMDQCTJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.31
Rot. Bonds1

About 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene

9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene (PubChem CID 130265724) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene
PubChem CID130265724
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene
SMILESCC(C)n1c2c(c3ccccc31)C1CCCN(CC1)C2
InChIInChI=1S/C18H24N2/c1-13(2)20-16-8-4-3-7-15(16)18-14-6-5-10-19(11-9-14)12-17(18)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3
InChIKeyIBAOAUUVMDQCTJ-UHFFFAOYSA-N
XLogP4.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole
CID 121261655
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CID 102225652
2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole
CID 166894897
3-[(4-hydroxypiperidin-1-yl)methyl]-1-propan-2-ylindole-2-carboxylic acid
CID 68966812
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-methylbenzamide
CID 130258049
(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 134075238
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
3-fluoro-2-methyl-1-propan-2-ylindole
CID 150270032
ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
CID 165044718
(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide
CID 118868657
2-(3-cyclohexyl-2-phenylindol-1-yl)-1-(dimethylamino)ethanol
CID 141127629

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene?
The IUPAC name of 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene (CID 130265724) is 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene is CC(C)n1c2c(c3ccccc31)C1CCCN(CC1)C2.
What is the InChIKey of 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene?
The InChIKey is IBAOAUUVMDQCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)20-16-8-4-3-7-15(16)18-14-6-5-10-19(11-9-14)12-17(18)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3.
What are the key properties of 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene?
9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene has a molecular weight of 268.40 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-9,12-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 130265724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).