3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine

C12H20N2O2 — CID 103184229

IUPAC3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
SMILESCOCCCOCCCc1cnccc1N
InChIInChI=1S/C12H20N2O2/c1-15-7-3-9-16-8-2-4-11-10-14-6-5-12(11)13/h5-6,10H,2-4,7-9H2,1H3,(H2,13,14)
InChIKeyAVMBUABEIXUSQU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.65
Rot. Bonds8

About 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine

3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine (PubChem CID 103184229) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
PubChem CID103184229
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
SMILESCOCCCOCCCc1cnccc1N
InChIInChI=1S/C12H20N2O2/c1-15-7-3-9-16-8-2-4-11-10-14-6-5-12(11)13/h5-6,10H,2-4,7-9H2,1H3,(H2,13,14)
InChIKeyAVMBUABEIXUSQU-UHFFFAOYSA-N
XLogP1.65
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methoxypentyl)pyridin-4-amine
CID 104649837
3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine
CID 64502840
3-(4-methoxy-4-methylpentyl)pyridin-4-amine
CID 103037376
1-(4-amino-3-pyridinyl)-4-(2-methoxyethoxy)butan-2-one
CID 102927478
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
CID 103176845
[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
CID 103176702
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
4-[3-[4-(2-methoxyethoxy)butyl]pyrrolo[2,3-c]pyridin-1-yl]aniline
CID 123289359
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
4-[2-(2-methoxyethoxy)ethoxy]pyridin-3-amine
CID 104559949
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine?
The IUPAC name of 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine (CID 103184229) is 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine?
The canonical SMILES for 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine is COCCCOCCCc1cnccc1N.
What is the InChIKey of 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine?
The InChIKey is AVMBUABEIXUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-15-7-3-9-16-8-2-4-11-10-14-6-5-12(11)13/h5-6,10H,2-4,7-9H2,1H3,(H2,13,14).
What are the key properties of 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine?
3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine has a molecular weight of 224.30 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine is sourced from PubChem (CID 103184229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).