6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol

C12H20N2O2 — CID 107848736

IUPAC6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
SMILESCOc1cccnc1NCCCCCCO
InChIInChI=1S/C12H20N2O2/c1-16-11-7-6-9-14-12(11)13-8-4-2-3-5-10-15/h6-7,9,15H,2-5,8,10H2,1H3,(H,13,14)
InChIKeyWQEZDDXFTBFWNG-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.05
Rot. Bonds8

About 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol

6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol (PubChem CID 107848736) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
PubChem CID107848736
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
SMILESCOc1cccnc1NCCCCCCO
InChIInChI=1S/C12H20N2O2/c1-16-11-7-6-9-14-12(11)13-8-4-2-3-5-10-15/h6-7,9,15H,2-5,8,10H2,1H3,(H,13,14)
InChIKeyWQEZDDXFTBFWNG-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.05
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

N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
2-(5-hydroxypentylamino)-3-methoxyphenol
CID 18326935
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol?
The IUPAC name of 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol (CID 107848736) is 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol is COc1cccnc1NCCCCCCO.
What is the InChIKey of 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol?
The InChIKey is WQEZDDXFTBFWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-11-7-6-9-14-12(11)13-8-4-2-3-5-10-15/h6-7,9,15H,2-5,8,10H2,1H3,(H,13,14).
What are the key properties of 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol?
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 107848736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).