2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine

C12H26N2 — CID 43307393

IUPAC2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNC(C)C1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-10(2)9-13-11(3)12-5-7-14(4)8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyXGQLZNPWNUPLKE-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds4

About 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine (PubChem CID 43307393) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
PubChem CID43307393
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNC(C)C1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-10(2)9-13-11(3)12-5-7-14(4)8-6-12/h10-13H,5-9H2,1-4H3
InChIKeyXGQLZNPWNUPLKE-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
CID 62648155
3-methyl-4-[1-(1-methylpiperidin-4-yl)ethylamino]butan-1-ol
CID 66092706
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79351441
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine (CID 43307393) is 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine is CC(C)CNC(C)C1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The InChIKey is XGQLZNPWNUPLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)9-13-11(3)12-5-7-14(4)8-6-12/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43307393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).