3-(4-methoxy-4-methylpentyl)pyridin-4-amine

C12H20N2O — CID 103037376

IUPAC3-(4-methoxy-4-methylpentyl)pyridin-4-amine
SMILESCOC(C)(C)CCCc1cnccc1N
InChIInChI=1S/C12H20N2O/c1-12(2,15-3)7-4-5-10-9-14-8-6-11(10)13/h6,8-9H,4-5,7H2,1-3H3,(H2,13,14)
InChIKeyGPMLJYRMGGNPJU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-methoxy-4-methylpentyl)pyridin-4-amine

3-(4-methoxy-4-methylpentyl)pyridin-4-amine (PubChem CID 103037376) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-methoxy-4-methylpentyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(4-methoxy-4-methylpentyl)pyridin-4-amine
PubChem CID103037376
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(4-methoxy-4-methylpentyl)pyridin-4-amine
SMILESCOC(C)(C)CCCc1cnccc1N
InChIInChI=1S/C12H20N2O/c1-12(2,15-3)7-4-5-10-9-14-8-6-11(10)13/h6,8-9H,4-5,7H2,1-3H3,(H2,13,14)
InChIKeyGPMLJYRMGGNPJU-UHFFFAOYSA-N
XLogP2.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methoxypentyl)pyridin-4-amine
CID 104649837
3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
CID 103184229
3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine
CID 64502840
4-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664857
1-(4-amino-3-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746767
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
1-(4-amino-3-pyridinyl)-2-methyl-3-(methylamino)propan-2-ol
CID 66037455
3-(bromomethyl)pyridin-4-amine
CID 18674607
1-(4-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
CID 116747071

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-4-methylpentyl)pyridin-4-amine?
The IUPAC name of 3-(4-methoxy-4-methylpentyl)pyridin-4-amine (CID 103037376) is 3-(4-methoxy-4-methylpentyl)pyridin-4-amine.
What is the SMILES notation for 3-(4-methoxy-4-methylpentyl)pyridin-4-amine?
The canonical SMILES for 3-(4-methoxy-4-methylpentyl)pyridin-4-amine is COC(C)(C)CCCc1cnccc1N.
What is the InChIKey of 3-(4-methoxy-4-methylpentyl)pyridin-4-amine?
The InChIKey is GPMLJYRMGGNPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,15-3)7-4-5-10-9-14-8-6-11(10)13/h6,8-9H,4-5,7H2,1-3H3,(H2,13,14).
What are the key properties of 3-(4-methoxy-4-methylpentyl)pyridin-4-amine?
3-(4-methoxy-4-methylpentyl)pyridin-4-amine has a molecular weight of 208.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-4-methylpentyl)pyridin-4-amine is sourced from PubChem (CID 103037376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).