N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine

C17H28N4 — CID 81199266

IUPACN-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H28N4/c1-3-18-12-14-6-4-9-19-17(14)21-11-8-16-15(13-21)7-5-10-20(16)2/h4,6,9,15-16,18H,3,5,7-8,10-13H2,1-2H3
InChIKeyNKSMSKLXTAVVHL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.11
Rot. Bonds4

About N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine

N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81199266) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81199266
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H28N4/c1-3-18-12-14-6-4-9-19-17(14)21-11-8-16-15(13-21)7-5-10-20(16)2/h4,6,9,15-16,18H,3,5,7-8,10-13H2,1-2H3
InChIKeyNKSMSKLXTAVVHL-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine (CID 81199266) is N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1N1CCC2C(CCCN2C)C1.
What is the InChIKey of N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is NKSMSKLXTAVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-12-14-6-4-9-19-17(14)21-11-8-16-15(13-21)7-5-10-20(16)2/h4,6,9,15-16,18H,3,5,7-8,10-13H2,1-2H3.
What are the key properties of N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81199266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).