1-(5-decoxy-2-pyridinyl)propan-2-amine

C18H32N2O — CID 79790628

IUPAC1-(5-decoxy-2-pyridinyl)propan-2-amine
SMILESCCCCCCCCCCOc1ccc(CC(C)N)nc1
InChIInChI=1S/C18H32N2O/c1-3-4-5-6-7-8-9-10-13-21-18-12-11-17(20-15-18)14-16(2)19/h11-12,15-16H,3-10,13-14,19H2,1-2H3
InChIKeyJXAAHNCYSRLYMW-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.49
Rot. Bonds12

About 1-(5-decoxy-2-pyridinyl)propan-2-amine

1-(5-decoxy-2-pyridinyl)propan-2-amine (PubChem CID 79790628) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(5-decoxy-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-decoxy-2-pyridinyl)propan-2-amine
PubChem CID79790628
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(5-decoxy-2-pyridinyl)propan-2-amine
SMILESCCCCCCCCCCOc1ccc(CC(C)N)nc1
InChIInChI=1S/C18H32N2O/c1-3-4-5-6-7-8-9-10-13-21-18-12-11-17(20-15-18)14-16(2)19/h11-12,15-16H,3-10,13-14,19H2,1-2H3
InChIKeyJXAAHNCYSRLYMW-UHFFFAOYSA-N
XLogP4.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
CID 79790646
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
5-octoxypyridin-2-amine
CID 43126983
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207

Frequently Asked Questions

What is the IUPAC name of 1-(5-decoxy-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(5-decoxy-2-pyridinyl)propan-2-amine (CID 79790628) is 1-(5-decoxy-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(5-decoxy-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(5-decoxy-2-pyridinyl)propan-2-amine is CCCCCCCCCCOc1ccc(CC(C)N)nc1.
What is the InChIKey of 1-(5-decoxy-2-pyridinyl)propan-2-amine?
The InChIKey is JXAAHNCYSRLYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-4-5-6-7-8-9-10-13-21-18-12-11-17(20-15-18)14-16(2)19/h11-12,15-16H,3-10,13-14,19H2,1-2H3.
What are the key properties of 1-(5-decoxy-2-pyridinyl)propan-2-amine?
1-(5-decoxy-2-pyridinyl)propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-decoxy-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 79790628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).