N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine

C13H23N3 — CID 134406808

IUPACN,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine
SMILESCC1=CC=C2CN(CCN(C)C)CCC2N1
InChIInChI=1S/C13H23N3/c1-11-4-5-12-10-16(9-8-15(2)3)7-6-13(12)14-11/h4-5,13-14H,6-10H2,1-3H3
InChIKeyRYUNVLNMMOLJIR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.06
Rot. Bonds3

About N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine

N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine (PubChem CID 134406808) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine
PubChem CID134406808
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine
SMILESCC1=CC=C2CN(CCN(C)C)CCC2N1
InChIInChI=1S/C13H23N3/c1-11-4-5-12-10-16(9-8-15(2)3)7-6-13(12)14-11/h4-5,13-14H,6-10H2,1-3H3
InChIKeyRYUNVLNMMOLJIR-UHFFFAOYSA-N
XLogP1.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine (CID 134406808) is N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine is CC1=CC=C2CN(CCN(C)C)CCC2N1.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine?
The InChIKey is RYUNVLNMMOLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-4-5-12-10-16(9-8-15(2)3)7-6-13(12)14-11/h4-5,13-14H,6-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine?
N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-5,7,8,8a-tetrahydro-1H-1,6-naphthyridin-6-yl)ethanamine is sourced from PubChem (CID 134406808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).