3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine

C14H20N4 — CID 90961072

IUPAC3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine
SMILESCC1=C(C)NC2=NC3=C(CC(C)C(N)=N3)CC2C1
InChIInChI=1S/C14H20N4/c1-7-4-10-6-11-5-8(2)12(15)17-14(11)18-13(10)16-9(7)3/h8,10H,4-6H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVJEFSNWPJKKDMQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds

About 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine

3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine (PubChem CID 90961072) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine.

Molecular Properties

Compound Name3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine
PubChem CID90961072
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine
SMILESCC1=C(C)NC2=NC3=C(CC(C)C(N)=N3)CC2C1
InChIInChI=1S/C14H20N4/c1-7-4-10-6-11-5-8(2)12(15)17-14(11)18-13(10)16-9(7)3/h8,10H,4-6H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVJEFSNWPJKKDMQ-UHFFFAOYSA-N
XLogP2.30
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine with MolForge

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Related Compounds

2,6,7-Trimethyl-1,4,5,6,7,8-hexahydroquinazoline
CID 53948556
2,3,8,9-Tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine
CID 91361353
N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine
CID 137100475
N-(1-cyclohexyl-2-methylprop-1-enyl)-N'-methylethanimidamide
CID 141842742
(7R)-2,4,4,7-tetramethyl-5,6,7,8-tetrahydro-1H-quinazoline
CID 21793392
2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477084
2-(4-ethylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477088
2-(3-methylbutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477109
2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477128
2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477165
2-(3-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477184
2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477265

Frequently Asked Questions

What is the IUPAC name of 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine?
The IUPAC name of 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine (CID 90961072) is 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine.
What is the SMILES notation for 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine?
The canonical SMILES for 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine is CC1=C(C)NC2=NC3=C(CC(C)C(N)=N3)CC2C1.
What is the InChIKey of 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine?
The InChIKey is VJEFSNWPJKKDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-7-4-10-6-11-5-8(2)12(15)17-14(11)18-13(10)16-9(7)3/h8,10H,4-6H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine?
3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8-trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine is sourced from PubChem (CID 90961072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).