2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine

C17H33N3 — CID 81199726

IUPAC2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
SMILESCN1CCCC2CN(CC3CCC(C)(C)C3N)CCC21
InChIInChI=1S/C17H33N3/c1-17(2)8-6-14(16(17)18)12-20-10-7-15-13(11-20)5-4-9-19(15)3/h13-16H,4-12,18H2,1-3H3
InChIKeyZIYFPQVGMKNIHH-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.17
Rot. Bonds2

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

2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine (PubChem CID 81199726) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
PubChem CID81199726
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
SMILESCN1CCCC2CN(CC3CCC(C)(C)C3N)CCC21
InChIInChI=1S/C17H33N3/c1-17(2)8-6-14(16(17)18)12-20-10-7-15-13(11-20)5-4-9-19(15)3/h13-16H,4-12,18H2,1-3H3
InChIKeyZIYFPQVGMKNIHH-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine (CID 81199726) is 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine is CN1CCCC2CN(CC3CCC(C)(C)C3N)CCC21.
What is the InChIKey of 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine?
The InChIKey is ZIYFPQVGMKNIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-17(2)8-6-14(16(17)18)12-20-10-7-15-13(11-20)5-4-9-19(15)3/h13-16H,4-12,18H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 81199726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).