4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine

C14H25N3O — CID 106815088

IUPAC4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(CCOCC)Cc1ccnc(N)c1
InChIInChI=1S/C14H25N3O/c1-3-7-16-13(6-9-18-4-2)10-12-5-8-17-14(15)11-12/h5,8,11,13,16H,3-4,6-7,9-10H2,1-2H3,(H2,15,17)
InChIKeyUCVAQBSQPCNNMR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.00
Rot. Bonds9

About 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine

4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine (PubChem CID 106815088) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
PubChem CID106815088
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
SMILESCCCNC(CCOCC)Cc1ccnc(N)c1
InChIInChI=1S/C14H25N3O/c1-3-7-16-13(6-9-18-4-2)10-12-5-8-17-14(15)11-12/h5,8,11,13,16H,3-4,6-7,9-10H2,1-2H3,(H2,15,17)
InChIKeyUCVAQBSQPCNNMR-UHFFFAOYSA-N
XLogP2.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708
4-(2-amino-4-ethoxybutyl)pyridin-2-amine
CID 106815067
4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
CID 65132138
4-(3-ethoxy-2-hydrazinylpropyl)pyridin-2-amine
CID 105235296
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806
1-(3,5-dimethylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 112688283
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136157
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
4-[5-methoxy-2-(methylamino)pentyl]pyridin-2-amine
CID 65091866

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
The IUPAC name of 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine (CID 106815088) is 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine.
What is the SMILES notation for 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
The canonical SMILES for 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine is CCCNC(CCOCC)Cc1ccnc(N)c1.
What is the InChIKey of 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
The InChIKey is UCVAQBSQPCNNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-7-16-13(6-9-18-4-2)10-12-5-8-17-14(15)11-12/h5,8,11,13,16H,3-4,6-7,9-10H2,1-2H3,(H2,15,17).
What are the key properties of 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine?
4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine is sourced from PubChem (CID 106815088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).