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

C14H25N3O — CID 116759749

IUPAC4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C14H25N3O/c1-4-14(5-2,18-6-3)12(15)9-11-7-8-17-13(16)10-11/h7-8,10,12H,4-6,9,15H2,1-3H3,(H2,16,17)
InChIKeyITTYBCLIYFBUMN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.13
Rot. Bonds7

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

4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine (PubChem CID 116759749) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
PubChem CID116759749
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccnc(N)c1
InChIInChI=1S/C14H25N3O/c1-4-14(5-2,18-6-3)12(15)9-11-7-8-17-13(16)10-11/h7-8,10,12H,4-6,9,15H2,1-3H3,(H2,16,17)
InChIKeyITTYBCLIYFBUMN-UHFFFAOYSA-N
XLogP2.13
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
CID 116758668
1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759724
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
3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
3-ethoxy-3-ethyl-1-pyridin-3-ylpentan-2-amine
CID 116759597
3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
CID 116759601
4-(2-amino-4-ethoxybutyl)pyridin-2-amine
CID 106815067
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
4-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
CID 62465833
4-(2-amino-3-methoxybutyl)pyridin-2-amine
CID 79615950

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine?
The IUPAC name of 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine (CID 116759749) is 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine?
The canonical SMILES for 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine is CCOC(CC)(CC)C(N)Cc1ccnc(N)c1.
What is the InChIKey of 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine?
The InChIKey is ITTYBCLIYFBUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-14(5-2,18-6-3)12(15)9-11-7-8-17-13(16)10-11/h7-8,10,12H,4-6,9,15H2,1-3H3,(H2,16,17).
What are the key properties of 4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine?
4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.13, 7 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-ethylpentyl)pyridin-2-amine is sourced from PubChem (CID 116759749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).