3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine

C13H22N2O — CID 116760495

IUPAC3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1ccncc1
InChIInChI=1S/C13H22N2O/c1-4-13(5-2,16-3)12(14)10-11-6-8-15-9-7-11/h6-9,12H,4-5,10,14H2,1-3H3
InChIKeyGADJMIVYNOCSJA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.16
Rot. Bonds6

About 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine

3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine (PubChem CID 116760495) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine
PubChem CID116760495
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1ccncc1
InChIInChI=1S/C13H22N2O/c1-4-13(5-2,16-3)12(14)10-11-6-8-15-9-7-11/h6-9,12H,4-5,10,14H2,1-3H3
InChIKeyGADJMIVYNOCSJA-UHFFFAOYSA-N
XLogP2.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062650
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
CID 116760450
1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760732
3-ethoxy-3-ethyl-1-pyridin-3-ylpentan-2-amine
CID 116759597
3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
CID 116759749
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
1-(4-chlorophenyl)-3-methoxy-3-methylpentan-2-amine
CID 116757360
3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116760727

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine?
The IUPAC name of 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine (CID 116760495) is 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine?
The canonical SMILES for 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine is CCC(CC)(OC)C(N)Cc1ccncc1.
What is the InChIKey of 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine?
The InChIKey is GADJMIVYNOCSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(5-2,16-3)12(14)10-11-6-8-15-9-7-11/h6-9,12H,4-5,10,14H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine?
3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine is sourced from PubChem (CID 116760495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).