6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine

C20H41N3 — CID 166942214

IUPAC6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine
SMILESCCCCC(CCCC)N1CNCC2CN(C(C)(C)C)CCC21
InChIInChI=1S/C20H41N3/c1-6-8-10-18(11-9-7-2)23-16-21-14-17-15-22(20(3,4)5)13-12-19(17)23/h17-19,21H,6-16H2,1-5H3
InChIKeyFAYLJQQGVZFEOL-UHFFFAOYSA-N
MW323.57 g/mol
LogP4.09
Rot. Bonds7

About 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine

6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine (PubChem CID 166942214) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine
PubChem CID166942214
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine
SMILESCCCCC(CCCC)N1CNCC2CN(C(C)(C)C)CCC21
InChIInChI=1S/C20H41N3/c1-6-8-10-18(11-9-7-2)23-16-21-14-17-15-22(20(3,4)5)13-12-19(17)23/h17-19,21H,6-16H2,1-5H3
InChIKeyFAYLJQQGVZFEOL-UHFFFAOYSA-N
XLogP4.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine (CID 166942214) is 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine is CCCCC(CCCC)N1CNCC2CN(C(C)(C)C)CCC21.
What is the InChIKey of 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine?
The InChIKey is FAYLJQQGVZFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-6-8-10-18(11-9-7-2)23-16-21-14-17-15-22(20(3,4)5)13-12-19(17)23/h17-19,21H,6-16H2,1-5H3.
What are the key properties of 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine?
6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine has a molecular weight of 323.57 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-nonan-5-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 166942214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).