N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine

C17H27N3O — CID 124806191

IUPACN,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine
SMILESCN(C)C[C@@H]1CCC[C@@]2(CCN(Cc3cccnc3)C2)O1
InChIInChI=1S/C17H27N3O/c1-19(2)13-16-6-3-7-17(21-16)8-10-20(14-17)12-15-5-4-9-18-11-15/h4-5,9,11,16H,3,6-8,10,12-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyNHQGKVYNZBSQTK-IRXDYDNUSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds4

About N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine

N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine (PubChem CID 124806191) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine
PubChem CID124806191
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine
SMILESCN(C)C[C@@H]1CCC[C@@]2(CCN(Cc3cccnc3)C2)O1
InChIInChI=1S/C17H27N3O/c1-19(2)13-16-6-3-7-17(21-16)8-10-20(14-17)12-15-5-4-9-18-11-15/h4-5,9,11,16H,3,6-8,10,12-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyNHQGKVYNZBSQTK-IRXDYDNUSA-N
XLogP2.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-7-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134794148
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 56895117
[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
CID 117024926
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 97476450
[(5S,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methyl-3-pyridinyl)methanone
CID 124801594
(5R,7S)-7-[(4-methylpiperazin-1-yl)methyl]-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decane
CID 97485941
8-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640266
N,N-dimethyl-1-[7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methanamine
CID 131644529

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine (CID 124806191) is N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine is CN(C)C[C@@H]1CCC[C@@]2(CCN(Cc3cccnc3)C2)O1.
What is the InChIKey of N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine?
The InChIKey is NHQGKVYNZBSQTK-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)13-16-6-3-7-17(21-16)8-10-20(14-17)12-15-5-4-9-18-11-15/h4-5,9,11,16H,3,6-8,10,12-14H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine?
N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(5S,7S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methanamine is sourced from PubChem (CID 124806191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).