N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine

C21H29N3O — CID 118747039

IUPACN-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1ccc(CN2CCC3(CC2)CC3CN(C)Cc2cccnc2)o1
InChIInChI=1S/C21H29N3O/c1-17-5-6-20(25-17)16-24-10-7-21(8-11-24)12-19(21)15-23(2)14-18-4-3-9-22-13-18/h3-6,9,13,19H,7-8,10-12,14-16H2,1-2H3
InChIKeyLRNINHNTINOUMQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.72
Rot. Bonds6

About N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine

N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 118747039) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID118747039
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1ccc(CN2CCC3(CC2)CC3CN(C)Cc2cccnc2)o1
InChIInChI=1S/C21H29N3O/c1-17-5-6-20(25-17)16-24-10-7-21(8-11-24)12-19(21)15-23(2)14-18-4-3-9-22-13-18/h3-6,9,13,19H,7-8,10-12,14-16H2,1-2H3
InChIKeyLRNINHNTINOUMQ-UHFFFAOYSA-N
XLogP3.72
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-8-[(5-methylfuran-2-yl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97371236
8-[(5-methylfuran-2-yl)methyl]-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 131659879
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
8-[(5-methylfuran-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696960
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124812825
(2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
CID 97415912
N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747040
(5R,9S)-7-methyl-2-[(5-methylfuran-2-yl)methyl]-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155844740
8-[(5-methylfuran-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155848726
9-[(5-methylfuran-2-yl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696831
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine
CID 42531493

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 118747039) is N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine is Cc1ccc(CN2CCC3(CC2)CC3CN(C)Cc2cccnc2)o1.
What is the InChIKey of N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is LRNINHNTINOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-17-5-6-20(25-17)16-24-10-7-21(8-11-24)12-19(21)15-23(2)14-18-4-3-9-22-13-18/h3-6,9,13,19H,7-8,10-12,14-16H2,1-2H3.
What are the key properties of N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine?
N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 339.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 118747039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).