N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine

C9H15N3 — CID 67518556

IUPACN-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine
SMILESCNC1CCNC2N=CC=CC12
InChIInChI=1S/C9H15N3/c1-10-8-4-6-12-9-7(8)3-2-5-11-9/h2-3,5,7-10,12H,4,6H2,1H3
InChIKeyONFPUPCWYMISBL-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.15
Rot. Bonds1

About N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine

N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine (PubChem CID 67518556) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine
PubChem CID67518556
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine
SMILESCNC1CCNC2N=CC=CC12
InChIInChI=1S/C9H15N3/c1-10-8-4-6-12-9-7(8)3-2-5-11-9/h2-3,5,7-10,12H,4,6H2,1H3
InChIKeyONFPUPCWYMISBL-UHFFFAOYSA-N
XLogP0.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine?
The IUPAC name of N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine (CID 67518556) is N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine?
The canonical SMILES for N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine is CNC1CCNC2N=CC=CC12.
What is the InChIKey of N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine?
The InChIKey is ONFPUPCWYMISBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-10-8-4-6-12-9-7(8)3-2-5-11-9/h2-3,5,7-10,12H,4,6H2,1H3.
What are the key properties of N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine?
N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine has a molecular weight of 165.24 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,4,4a,8a-hexahydro-1,8-naphthyridin-4-amine is sourced from PubChem (CID 67518556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).