4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine

C13H23N3O — CID 116758668

IUPAC4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C13H23N3O/c1-4-13(3,17-5-2)11(14)8-10-6-7-16-12(15)9-10/h6-7,9,11H,4-5,8,14H2,1-3H3,(H2,15,16)
InChIKeyIFVKMYFCALGKPG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.74
Rot. Bonds6

About 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine

4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine (PubChem CID 116758668) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
PubChem CID116758668
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C13H23N3O/c1-4-13(3,17-5-2)11(14)8-10-6-7-16-12(15)9-10/h6-7,9,11H,4-5,8,14H2,1-3H3,(H2,15,16)
InChIKeyIFVKMYFCALGKPG-UHFFFAOYSA-N
XLogP1.74
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
CID 116759749
4-[3-ethoxy-2-(ethylamino)-3-methylpentyl]pyridin-2-amine
CID 116759232
1-(2-amino-4-pyridinyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052780
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
4-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
CID 62465833
1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
CID 116758609
4-(2-amino-4-ethoxybutyl)pyridin-2-amine
CID 106815067
3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590
4-(2-amino-3-methoxybutyl)pyridin-2-amine
CID 79615950
4-(3-ethoxy-2-hydrazinylpropyl)pyridin-2-amine
CID 105235296
ethane;4-ethylpyridin-2-amine
CID 144736585
4-[2-amino-2-(4-ethoxyoxan-4-yl)ethyl]pyridin-2-amine
CID 116765534

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine?
The IUPAC name of 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine (CID 116758668) is 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine?
The canonical SMILES for 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine is CCOC(C)(CC)C(N)Cc1ccnc(N)c1.
What is the InChIKey of 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine?
The InChIKey is IFVKMYFCALGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(3,17-5-2)11(14)8-10-6-7-16-12(15)9-10/h6-7,9,11H,4-5,8,14H2,1-3H3,(H2,15,16).
What are the key properties of 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine?
4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine is sourced from PubChem (CID 116758668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).