[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine

C18H35N3 — CID 81199444

IUPAC[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine
SMILESCN1CCCC2CN(C3(CN)CCCCCCC3)CCC21
InChIInChI=1S/C18H35N3/c1-20-12-7-8-16-14-21(13-9-17(16)20)18(15-19)10-5-3-2-4-6-11-18/h16-17H,2-15,19H2,1H3
InChIKeyUYQLFNFBBYFPBH-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.84
Rot. Bonds2

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

[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine (PubChem CID 81199444) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine
PubChem CID81199444
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine
SMILESCN1CCCC2CN(C3(CN)CCCCCCC3)CCC21
InChIInChI=1S/C18H35N3/c1-20-12-7-8-16-14-21(13-9-17(16)20)18(15-19)10-5-3-2-4-6-11-18/h16-17H,2-15,19H2,1H3
InChIKeyUYQLFNFBBYFPBH-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine?
The IUPAC name of [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine (CID 81199444) is [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine?
The canonical SMILES for [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine is CN1CCCC2CN(C3(CN)CCCCCCC3)CCC21.
What is the InChIKey of [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine?
The InChIKey is UYQLFNFBBYFPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-20-12-7-8-16-14-21(13-9-17(16)20)18(15-19)10-5-3-2-4-6-11-18/h16-17H,2-15,19H2,1H3.
What are the key properties of [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine?
[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine is sourced from PubChem (CID 81199444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).