N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine

C13H28N2O — CID 102696931

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
SMILESCCN1CCCC(C(C)NCC(C)OC)C1
InChIInChI=1S/C13H28N2O/c1-5-15-8-6-7-13(10-15)12(3)14-9-11(2)16-4/h11-14H,5-10H2,1-4H3
InChIKeyGYVKISNYXWIPCL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine

N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine (PubChem CID 102696931) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
PubChem CID102696931
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
SMILESCCN1CCCC(C(C)NCC(C)OC)C1
InChIInChI=1S/C13H28N2O/c1-5-15-8-6-7-13(10-15)12(3)14-9-11(2)16-4/h11-14H,5-10H2,1-4H3
InChIKeyGYVKISNYXWIPCL-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
3-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-hydroxypropanamide
CID 114153668
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43308557
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-(2-cyclohexylethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 54931824
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
1-[[1-(1-ethylpiperidin-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65105376
3-[1-(1-ethylpiperidin-3-yl)ethylamino]propanoic acid
CID 43308794
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
CID 60816961
N-[1-(1-ethylpiperidin-3-yl)ethyl]hexan-3-amine
CID 62119464
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(1-ethylpiperidin-3-yl)ethanamine
CID 79079312

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine (CID 102696931) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine is CCN1CCCC(C(C)NCC(C)OC)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine?
The InChIKey is GYVKISNYXWIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-15-8-6-7-13(10-15)12(3)14-9-11(2)16-4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine is sourced from PubChem (CID 102696931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).