6-pyridin-3-yloxyhexan-1-amine;hydrochloride

C11H19ClN2O — CID 131726699

IUPAC6-pyridin-3-yloxyhexan-1-amine;hydrochloride
SMILESCl.NCCCCCCOc1cccnc1
InChIInChI=1S/C11H18N2O.ClH/c12-7-3-1-2-4-9-14-11-6-5-8-13-10-11;/h5-6,8,10H,1-4,7,9,12H2;1H
InChIKeyFEGBYCYLRIHEOL-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.40
Rot. Bonds7

About 6-pyridin-3-yloxyhexan-1-amine;hydrochloride

6-pyridin-3-yloxyhexan-1-amine;hydrochloride (PubChem CID 131726699) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 6-pyridin-3-yloxyhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name6-pyridin-3-yloxyhexan-1-amine;hydrochloride
PubChem CID131726699
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name6-pyridin-3-yloxyhexan-1-amine;hydrochloride
SMILESCl.NCCCCCCOc1cccnc1
InChIInChI=1S/C11H18N2O.ClH/c12-7-3-1-2-4-9-14-11-6-5-8-13-10-11;/h5-6,8,10H,1-4,7,9,12H2;1H
InChIKeyFEGBYCYLRIHEOL-UHFFFAOYSA-N
XLogP2.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.40
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

3-octadecoxypyridine
CID 175800212
2-(2-pyridin-3-yloxyethoxy)ethanamine
CID 103482595
3-(3-phenoxypropoxy)pyridine
CID 86195847
3-[7-(2-methoxy-2-methylpropoxy)heptoxy]pyridine
CID 173395801
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
3-(4,4,4-trifluorobutoxy)pyridine
CID 112558625
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
pyridin-3-yl hypochlorite
CID 91164948
3-(4-octoxyphenyl)pyridine
CID 90176946
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yloxyhexan-1-amine;hydrochloride?
The IUPAC name of 6-pyridin-3-yloxyhexan-1-amine;hydrochloride (CID 131726699) is 6-pyridin-3-yloxyhexan-1-amine;hydrochloride.
What is the SMILES notation for 6-pyridin-3-yloxyhexan-1-amine;hydrochloride?
The canonical SMILES for 6-pyridin-3-yloxyhexan-1-amine;hydrochloride is Cl.NCCCCCCOc1cccnc1.
What is the InChIKey of 6-pyridin-3-yloxyhexan-1-amine;hydrochloride?
The InChIKey is FEGBYCYLRIHEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c12-7-3-1-2-4-9-14-11-6-5-8-13-10-11;/h5-6,8,10H,1-4,7,9,12H2;1H.
What are the key properties of 6-pyridin-3-yloxyhexan-1-amine;hydrochloride?
6-pyridin-3-yloxyhexan-1-amine;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yloxyhexan-1-amine;hydrochloride is sourced from PubChem (CID 131726699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).