2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine

C17H27N3O — CID 80637065

IUPAC2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)cnc1N1CC2CCC(C1)O2
InChIInChI=1S/C17H27N3O/c1-12(2)7-18-8-14-6-13(3)17(19-9-14)20-10-15-4-5-16(11-20)21-15/h6,9,12,15-16,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyQCSMPSZGDRZSCD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.50
Rot. Bonds5

About 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80637065) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID80637065
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)cnc1N1CC2CCC(C1)O2
InChIInChI=1S/C17H27N3O/c1-12(2)7-18-8-14-6-13(3)17(19-9-14)20-10-15-4-5-16(11-20)21-15/h6,9,12,15-16,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyQCSMPSZGDRZSCD-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
CID 80638573
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284909
2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine
CID 66371985
2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66369862
N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80627944
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670475
1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 106670519
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635386
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80630100
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine (CID 80637065) is 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine is Cc1cc(CNCC(C)C)cnc1N1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is QCSMPSZGDRZSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)7-18-8-14-6-13(3)17(19-9-14)20-10-15-4-5-16(11-20)21-15/h6,9,12,15-16,18H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80637065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).