1-(2-chlorofuran-3-yl)hex-5-yn-1-amine

C10H12ClNO — CID 106692996

IUPAC1-(2-chlorofuran-3-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO/c1-2-3-4-5-9(12)8-6-7-13-10(8)11/h1,6-7,9H,3-5,12H2
InChIKeyGQWMZKMYNFKQTC-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine

1-(2-chlorofuran-3-yl)hex-5-yn-1-amine (PubChem CID 106692996) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)hex-5-yn-1-amine
PubChem CID106692996
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(2-chlorofuran-3-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO/c1-2-3-4-5-9(12)8-6-7-13-10(8)11/h1,6-7,9H,3-5,12H2
InChIKeyGQWMZKMYNFKQTC-UHFFFAOYSA-N
XLogP2.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorofuran-3-yl)hex-5-yn-1-ol
CID 106693985
(3S)-3-amino-3-(2-chlorofuran-3-yl)propanenitrile
CID 130713756
1-(2,3,4-trifluorophenyl)hex-5-yn-1-amine
CID 105033744
1-(2-chlorofuran-3-yl)-2-ethoxyethanamine
CID 106692544
1-(5-chloro-2-methylphenyl)pent-4-yn-1-amine
CID 115859365
1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
CID 106755808
1-(5-bromo-2-chlorophenyl)pent-4-yn-1-amine
CID 115859145
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
1-(2-chlorofuran-3-yl)prop-2-ynylhydrazine
CID 106694507
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
1-(2-chlorofuran-3-yl)-2-ethylbutan-1-amine
CID 106692648
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine (CID 106692996) is 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine is C#CCCCC(N)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine?
The InChIKey is GQWMZKMYNFKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-3-4-5-9(12)8-6-7-13-10(8)11/h1,6-7,9H,3-5,12H2.
What are the key properties of 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine?
1-(2-chlorofuran-3-yl)hex-5-yn-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)hex-5-yn-1-amine is sourced from PubChem (CID 106692996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).