3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine

C12H21N3O — CID 64502840

IUPAC3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine
SMILESCOCCNCCCCc1cnccc1N
InChIInChI=1S/C12H21N3O/c1-16-9-8-14-6-3-2-4-11-10-15-7-5-12(11)13/h5,7,10,14H,2-4,6,8-9H2,1H3,(H2,13,15)
InChIKeyHIMDIHGIUAAPFH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.22
Rot. Bonds8

About 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine

3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine (PubChem CID 64502840) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine
PubChem CID64502840
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine
SMILESCOCCNCCCCc1cnccc1N
InChIInChI=1S/C12H21N3O/c1-16-9-8-14-6-3-2-4-11-10-15-7-5-12(11)13/h5,7,10,14H,2-4,6,8-9H2,1H3,(H2,13,15)
InChIKeyHIMDIHGIUAAPFH-UHFFFAOYSA-N
XLogP1.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.22
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

3-(5-methoxypentyl)pyridin-4-amine
CID 104649837
3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
CID 103184229
2-[3-(2-methoxyethylamino)propyl]aniline
CID 107274451
3-(4-methoxy-4-methylpentyl)pyridin-4-amine
CID 103037376
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 79584245
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine
CID 64867710

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine?
The IUPAC name of 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine (CID 64502840) is 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine.
What is the SMILES notation for 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine?
The canonical SMILES for 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine is COCCNCCCCc1cnccc1N.
What is the InChIKey of 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine?
The InChIKey is HIMDIHGIUAAPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-16-9-8-14-6-3-2-4-11-10-15-7-5-12(11)13/h5,7,10,14H,2-4,6,8-9H2,1H3,(H2,13,15).
What are the key properties of 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine?
3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethylamino)butyl]pyridin-4-amine is sourced from PubChem (CID 64502840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).