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

C14H20N2 — CID 84622398

IUPAC2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine
SMILESCc1ccc2c(c1)NCC1CCN(C)CC21
InChIInChI=1S/C14H20N2/c1-10-3-4-12-13-9-16(2)6-5-11(13)8-15-14(12)7-10/h3-4,7,11,13,15H,5-6,8-9H2,1-2H3
InChIKeyRDNMNFZGVZEHOL-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.46
Rot. Bonds

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

2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine (PubChem CID 84622398) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine.

Molecular Properties

Compound Name2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine
PubChem CID84622398
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine
SMILESCc1ccc2c(c1)NCC1CCN(C)CC21
InChIInChI=1S/C14H20N2/c1-10-3-4-12-13-9-16(2)6-5-11(13)8-15-14(12)7-10/h3-4,7,11,13,15H,5-6,8-9H2,1-2H3
InChIKeyRDNMNFZGVZEHOL-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine with MolForge

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Related Compounds

7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
CID 70172969
6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
CID 112710647
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84627031
3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84626312
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
N,N,7-trimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275530
2,7-dimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 18361946
(3aS,10bS)-7-fluoro-2-methyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
CID 66821378
(4aS,10bS)-2,7,9-trimethyl-1,3,4,4a,5,10b-hexahydrobenzo[h]isoquinolin-6-one
CID 54288118
3-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline
CID 118462093
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-pyridin-4-ylmethanone
CID 11914132

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine?
The IUPAC name of 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine (CID 84622398) is 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine.
What is the SMILES notation for 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine?
The canonical SMILES for 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine is Cc1ccc2c(c1)NCC1CCN(C)CC21.
What is the InChIKey of 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine?
The InChIKey is RDNMNFZGVZEHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-3-4-12-13-9-16(2)6-5-11(13)8-15-14(12)7-10/h3-4,7,11,13,15H,5-6,8-9H2,1-2H3.
What are the key properties of 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine?
2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine has a molecular weight of 216.33 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine is sourced from PubChem (CID 84622398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).