(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine

C17H23N3 — CID 82450935

IUPAC(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
SMILESCCN1CCc2nc3cc(C)cc(C)c3c(CN)c2C1
InChIInChI=1S/C17H23N3/c1-4-20-6-5-15-14(10-20)13(9-18)17-12(3)7-11(2)8-16(17)19-15/h7-8H,4-6,9-10,18H2,1-3H3
InChIKeyZZJVGKMQYCPIIW-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.69
Rot. Bonds2

About (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine

(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine (PubChem CID 82450935) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
PubChem CID82450935
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
SMILESCCN1CCc2nc3cc(C)cc(C)c3c(CN)c2C1
InChIInChI=1S/C17H23N3/c1-4-20-6-5-15-14(10-20)13(9-18)17-12(3)7-11(2)8-16(17)19-15/h7-8H,4-6,9-10,18H2,1-3H3
InChIKeyZZJVGKMQYCPIIW-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450941
2-(2-ethyl-6,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)propan-2-amine
CID 82450829
2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 61360264
(2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450203
2-ethyl-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450420
2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82450852
1-(2,8-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450513
1-(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-N-methylmethanamine
CID 82450873
1-(2-ethyl-7,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)ethanone
CID 82451050
3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82450866
8-chloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451410
phenacyl 2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999629

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
The IUPAC name of (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine (CID 82450935) is (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine.
What is the SMILES notation for (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
The canonical SMILES for (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine is CCN1CCc2nc3cc(C)cc(C)c3c(CN)c2C1.
What is the InChIKey of (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
The InChIKey is ZZJVGKMQYCPIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-20-6-5-15-14(10-20)13(9-18)17-12(3)7-11(2)8-16(17)19-15/h7-8H,4-6,9-10,18H2,1-3H3.
What are the key properties of (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine is sourced from PubChem (CID 82450935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).