2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine

C13H28N2O2 — CID 66270128

IUPAC2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine
SMILESCCC1CCCN(C(CN)CC(OC)OC)C1
InChIInChI=1S/C13H28N2O2/c1-4-11-6-5-7-15(10-11)12(9-14)8-13(16-2)17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyJOVJJQNLPLQLMM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.44
Rot. Bonds7

About 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine

2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine (PubChem CID 66270128) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine
PubChem CID66270128
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine
SMILESCCC1CCCN(C(CN)CC(OC)OC)C1
InChIInChI=1S/C13H28N2O2/c1-4-11-6-5-7-15(10-11)12(9-14)8-13(16-2)17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyJOVJJQNLPLQLMM-UHFFFAOYSA-N
XLogP1.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4,4-dimethoxybutan-1-amine
CID 66269950
4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 66270520
4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102964864
2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501631
3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 104711134
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675
2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine
CID 66269197
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
N-ethyl-2-(3-ethylpiperidin-1-yl)butan-1-amine
CID 62433974
4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
CID 106586452
N-ethyl-2-(3-ethylpiperidin-1-yl)pentan-1-amine
CID 83054457
2-(3-ethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 83054364

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine (CID 66270128) is 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine is CCC1CCCN(C(CN)CC(OC)OC)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine?
The InChIKey is JOVJJQNLPLQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-11-6-5-7-15(10-11)12(9-14)8-13(16-2)17-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine?
2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine is sourced from PubChem (CID 66270128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).