1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride

C11H20ClNO — CID 86262852

IUPAC1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
SMILESCCCCCC(N)c1ccc(C)o1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-3-4-5-6-10(12)11-8-7-9(2)13-11;/h7-8,10H,3-6,12H2,1-2H3;1H
InChIKeyUOPQINFVTRCIBY-UHFFFAOYSA-N
MW217.74 g/mol
LogP3.59
Rot. Bonds5

About 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride

1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride (PubChem CID 86262852) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
PubChem CID86262852
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
SMILESCCCCCC(N)c1ccc(C)o1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-3-4-5-6-10(12)11-8-7-9(2)13-11;/h7-8,10H,3-6,12H2,1-2H3;1H
InChIKeyUOPQINFVTRCIBY-UHFFFAOYSA-N
XLogP3.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 171233167
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
(1R)-1-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743
2-(5-methylfuran-2-yl)heptanenitrile
CID 162405114
4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride?
The IUPAC name of 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride (CID 86262852) is 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride?
The canonical SMILES for 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride is CCCCCC(N)c1ccc(C)o1.Cl.
What is the InChIKey of 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride?
The InChIKey is UOPQINFVTRCIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c1-3-4-5-6-10(12)11-8-7-9(2)13-11;/h7-8,10H,3-6,12H2,1-2H3;1H.
What are the key properties of 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride?
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 86262852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).