3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine

C15H22N2 — CID 84626312

IUPAC3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
SMILESCc1ccc2c(c1C)NCC1CN(C)CCC21
InChIInChI=1S/C15H22N2/c1-10-4-5-14-13-6-7-17(3)9-12(13)8-16-15(14)11(10)2/h4-5,12-13,16H,6-9H2,1-3H3
InChIKeyJOZZJZMDVFWFLA-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.76
Rot. Bonds

About 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine

3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine (PubChem CID 84626312) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
PubChem CID84626312
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
SMILESCc1ccc2c(c1C)NCC1CN(C)CCC21
InChIInChI=1S/C15H22N2/c1-10-4-5-14-13-6-7-17(3)9-12(13)8-16-15(14)11(10)2/h4-5,12-13,16H,6-9H2,1-3H3
InChIKeyJOZZJZMDVFWFLA-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
The IUPAC name of 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine (CID 84626312) is 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine.
What is the SMILES notation for 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
The canonical SMILES for 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine is Cc1ccc2c(c1C)NCC1CN(C)CCC21.
What is the InChIKey of 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
The InChIKey is JOZZJZMDVFWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10-4-5-14-13-6-7-17(3)9-12(13)8-16-15(14)11(10)2/h4-5,12-13,16H,6-9H2,1-3H3.
What are the key properties of 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine has a molecular weight of 230.36 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine is sourced from PubChem (CID 84626312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).