N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C17H29N3 — CID 105072754

IUPACN-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H29N3/c1-13(2)8-19-9-16-5-6-18-10-17(16)20-11-14(3)7-15(4)12-20/h5-6,10,13-15,19H,7-9,11-12H2,1-4H3
InChIKeyDCMSCNGDIAYJJY-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.31
Rot. Bonds5

About N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105072754) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105072754
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1N1CC(C)CC(C)C1
InChIInChI=1S/C17H29N3/c1-13(2)8-19-9-16-5-6-18-10-17(16)20-11-14(3)7-15(4)12-20/h5-6,10,13-15,19H,7-9,11-12H2,1-4H3
InChIKeyDCMSCNGDIAYJJY-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539529
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104960884
2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114596976
N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388871
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074066
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
2-methyl-N-[[3-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074709
3-(chloromethyl)-4-(3,5-dimethylpiperidin-1-yl)pyridine
CID 81237796
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105072754) is N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccncc1N1CC(C)CC(C)C1.
What is the InChIKey of N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DCMSCNGDIAYJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)8-19-9-16-5-6-18-10-17(16)20-11-14(3)7-15(4)12-20/h5-6,10,13-15,19H,7-9,11-12H2,1-4H3.
What are the key properties of N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105072754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).