8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

C18H26N4 — CID 167173118

IUPAC8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCc1c2n(c3ncc(N4CCCC4)cc13)CCN(C(C)C)C2
InChIInChI=1S/C18H26N4/c1-13(2)21-8-9-22-17(12-21)14(3)16-10-15(11-19-18(16)22)20-6-4-5-7-20/h10-11,13H,4-9,12H2,1-3H3
InChIKeyMEVKJGXFBOPIIH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.17
Rot. Bonds2

About 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (PubChem CID 167173118) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.

Molecular Properties

Compound Name8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
PubChem CID167173118
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCc1c2n(c3ncc(N4CCCC4)cc13)CCN(C(C)C)C2
InChIInChI=1S/C18H26N4/c1-13(2)21-8-9-22-17(12-21)14(3)16-10-15(11-19-18(16)22)20-6-4-5-7-20/h10-11,13H,4-9,12H2,1-3H3
InChIKeyMEVKJGXFBOPIIH-UHFFFAOYSA-N
XLogP3.17
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene with MolForge

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Related Compounds

5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 167173126
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene
CID 167173127
11-iodo-8-methyl-5-(trifluoromethyl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 167173871
5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine
CID 130210286
3,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 176646471
5-methoxy-11-propan-2-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 167172659
1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
CID 177124106
11-propan-2-yl-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-5-carbonitrile
CID 167172658
1-(11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-5-yl)ethanone
CID 167173153
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methanol
CID 170928388
11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-5-carbonitrile
CID 167173152

Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The IUPAC name of 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (CID 167173118) is 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.
What is the SMILES notation for 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The canonical SMILES for 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is Cc1c2n(c3ncc(N4CCCC4)cc13)CCN(C(C)C)C2.
What is the InChIKey of 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The InChIKey is MEVKJGXFBOPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13(2)21-8-9-22-17(12-21)14(3)16-10-15(11-19-18(16)22)20-6-4-5-7-20/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene has a molecular weight of 298.43 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-propan-2-yl-5-pyrrolidin-1-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is sourced from PubChem (CID 167173118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).