1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine

C12H17N3 — CID 1209115

IUPAC1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine
SMILESCN1CCCc2c1nc1c(c2N)CCC1
InChIInChI=1S/C12H17N3/c1-15-7-3-5-9-11(13)8-4-2-6-10(8)14-12(9)15/h2-7H2,1H3,(H2,13,14)
InChIKeyUJHBOKFYFGNEEV-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.53
Rot. Bonds

About 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine

1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine (PubChem CID 1209115) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine.

Molecular Properties

Compound Name1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine
PubChem CID1209115
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine
SMILESCN1CCCc2c1nc1c(c2N)CCC1
InChIInChI=1S/C12H17N3/c1-15-7-3-5-9-11(13)8-4-2-6-10(8)14-12(9)15/h2-7H2,1H3,(H2,13,14)
InChIKeyUJHBOKFYFGNEEV-UHFFFAOYSA-N
XLogP1.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine?
The IUPAC name of 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine (CID 1209115) is 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine.
What is the SMILES notation for 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine?
The canonical SMILES for 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine is CN1CCCc2c1nc1c(c2N)CCC1.
What is the InChIKey of 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine?
The InChIKey is UJHBOKFYFGNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-15-7-3-5-9-11(13)8-4-2-6-10(8)14-12(9)15/h2-7H2,1H3,(H2,13,14).
What are the key properties of 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine?
1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,6,7,8-hexahydrocyclopenta[b][1,8]naphthyridin-5-amine is sourced from PubChem (CID 1209115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).