1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine

C14H22ClNO2 — CID 114193506

IUPAC1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine
SMILESNC(CCCCC1CCOCC1)c1ccc(Cl)o1
InChIInChI=1S/C14H22ClNO2/c15-14-6-5-13(18-14)12(16)4-2-1-3-11-7-9-17-10-8-11/h5-6,11-12H,1-4,7-10,16H2
InChIKeyPKEPKPAKNOSQQG-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.92
Rot. Bonds6

About 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine

1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine (PubChem CID 114193506) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine
PubChem CID114193506
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine
SMILESNC(CCCCC1CCOCC1)c1ccc(Cl)o1
InChIInChI=1S/C14H22ClNO2/c15-14-6-5-13(18-14)12(16)4-2-1-3-11-7-9-17-10-8-11/h5-6,11-12H,1-4,7-10,16H2
InChIKeyPKEPKPAKNOSQQG-UHFFFAOYSA-N
XLogP3.92
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.92
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

(1S)-1-(5-chlorofuran-2-yl)-2-cyclopropylethanamine
CID 55272415
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
[5-(oxan-4-yl)-1-pyridazin-4-ylpentyl]hydrazine
CID 114193588
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
5-chloro-3-[4-(oxan-4-yl)butyl]pyridin-2-amine
CID 114192747
(3S)-3-amino-3-(5-chlorofuran-2-yl)propanenitrile
CID 130956865
[6-(oxan-4-yl)-1-(oxolan-3-yl)hexan-2-yl]hydrazine
CID 114193386
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 106692043
[1-(5-chlorofuran-2-yl)-2-cyclopropylethyl]hydrazine
CID 106694459

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine (CID 114193506) is 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine is NC(CCCCC1CCOCC1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine?
The InChIKey is PKEPKPAKNOSQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c15-14-6-5-13(18-14)12(16)4-2-1-3-11-7-9-17-10-8-11/h5-6,11-12H,1-4,7-10,16H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine?
1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine has a molecular weight of 271.79 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-5-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 114193506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).