2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine

C16H27N3 — CID 62580597

IUPAC2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCN1Cc1ccccn1
InChIInChI=1S/C16H27N3/c1-16(2,3)18-12-15-9-5-7-11-19(15)13-14-8-4-6-10-17-14/h4,6,8,10,15,18H,5,7,9,11-13H2,1-3H3
InChIKeyJOINQEJVEGXSCR-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 62580597) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID62580597
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCCN1Cc1ccccn1
InChIInChI=1S/C16H27N3/c1-16(2,3)18-12-15-9-5-7-11-19(15)13-14-8-4-6-10-17-14/h4,6,8,10,15,18H,5,7,9,11-13H2,1-3H3
InChIKeyJOINQEJVEGXSCR-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
2-[(2-ethylazetidin-1-yl)methyl]pyridine
CID 130678024
N,N-dimethyl-6-[2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]ethyl]pyridin-2-amine
CID 124948158
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581633
2-methyl-N-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 102879282
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
N-methyl-1-[1-(pyridin-2-ylmethyl)aziridin-2-yl]methanamine
CID 117010161
N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 113328848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine (CID 62580597) is 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCCCN1Cc1ccccn1.
What is the InChIKey of 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is JOINQEJVEGXSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)18-12-15-9-5-7-11-19(15)13-14-8-4-6-10-17-14/h4,6,8,10,15,18H,5,7,9,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62580597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).