2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine

C12H17N3O2 — CID 131057084

IUPAC2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine
SMILESCc1cnc(N2CCC3(C2)OCCO3)cc1N
InChIInChI=1S/C12H17N3O2/c1-9-7-14-11(6-10(9)13)15-3-2-12(8-15)16-4-5-17-12/h6-7H,2-5,8H2,1H3,(H2,13,14)
InChIKeyBXGJMNOHFBHGFM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.93
Rot. Bonds1

About 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine

2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine (PubChem CID 131057084) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine
PubChem CID131057084
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine
SMILESCc1cnc(N2CCC3(C2)OCCO3)cc1N
InChIInChI=1S/C12H17N3O2/c1-9-7-14-11(6-10(9)13)15-3-2-12(8-15)16-4-5-17-12/h6-7H,2-5,8H2,1H3,(H2,13,14)
InChIKeyBXGJMNOHFBHGFM-UHFFFAOYSA-N
XLogP0.93
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(3S,4S)-4-isopropoxy-1-{[2-(methylamino)pyridin-3-yl]methyl}pyrrolidin-3-ol
CID 124210173
N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide
CID 136585320
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)pyridin-4-amine
CID 165129878
(Z)-4,4-diethoxy-1-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-3-iminobut-1-en-1-amine
CID 168879109
5-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,4-diamine
CID 83266133
7-[5-(Trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 100689131
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 100689846
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103269566
[2-(3,4-Dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
CID 103539495
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 103539513
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 103539530
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 103539531

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine?
The IUPAC name of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine (CID 131057084) is 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine.
What is the SMILES notation for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine?
The canonical SMILES for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine is Cc1cnc(N2CCC3(C2)OCCO3)cc1N.
What is the InChIKey of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine?
The InChIKey is BXGJMNOHFBHGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-14-11(6-10(9)13)15-3-2-12(8-15)16-4-5-17-12/h6-7H,2-5,8H2,1H3,(H2,13,14).
What are the key properties of 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine?
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine is sourced from PubChem (CID 131057084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).