1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine

C13H21N5 — CID 23559720

IUPAC1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine
SMILESCC(C)Cn1cnc2c1C1CCNCC1N=C2N
InChIInChI=1S/C13H21N5/c1-8(2)6-18-7-16-11-12(18)9-3-4-15-5-10(9)17-13(11)14/h7-10,15H,3-6H2,1-2H3,(H2,14,17)
InChIKeyHVDUKYFTNJGRNS-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.70
Rot. Bonds2

About 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine

1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine (PubChem CID 23559720) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine
PubChem CID23559720
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine
SMILESCC(C)Cn1cnc2c1C1CCNCC1N=C2N
InChIInChI=1S/C13H21N5/c1-8(2)6-18-7-16-11-12(18)9-3-4-15-5-10(9)17-13(11)14/h7-10,15H,3-6H2,1-2H3,(H2,14,17)
InChIKeyHVDUKYFTNJGRNS-UHFFFAOYSA-N
XLogP0.70
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine (CID 23559720) is 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine is CC(C)Cn1cnc2c1C1CCNCC1N=C2N.
What is the InChIKey of 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine?
The InChIKey is HVDUKYFTNJGRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-8(2)6-18-7-16-11-12(18)9-3-4-15-5-10(9)17-13(11)14/h7-10,15H,3-6H2,1-2H3,(H2,14,17).
What are the key properties of 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine?
1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydroimidazo[4,5-c][1,7]naphthyridin-4-amine is sourced from PubChem (CID 23559720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).