N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine

C17H29N3 — CID 81247724

IUPACN-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCCC(C)(C)C2)c(CNC(C)C)cn1
InChIInChI=1S/C17H29N3/c1-13(2)18-10-15-11-19-14(3)9-16(15)20-8-6-7-17(4,5)12-20/h9,11,13,18H,6-8,10,12H2,1-5H3
InChIKeyYYLDIDKACNKZDU-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.51
Rot. Bonds4

About N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81247724) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81247724
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCCC(C)(C)C2)c(CNC(C)C)cn1
InChIInChI=1S/C17H29N3/c1-13(2)18-10-15-11-19-14(3)9-16(15)20-8-6-7-17(4,5)12-20/h9,11,13,18H,6-8,10,12H2,1-5H3
InChIKeyYYLDIDKACNKZDU-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanol
CID 81238075
N-[[4-(3,3-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247817
N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254147
4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244783
N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189092
N-[[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105389973
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81254608
N-[[6-methyl-4-(3-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81255074
N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81249037
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81248517
N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81249710
N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81248493

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81247724) is N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(N2CCCC(C)(C)C2)c(CNC(C)C)cn1.
What is the InChIKey of N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is YYLDIDKACNKZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)18-10-15-11-19-14(3)9-16(15)20-8-6-7-17(4,5)12-20/h9,11,13,18H,6-8,10,12H2,1-5H3.
What are the key properties of N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81247724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).