(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride

C10H13ClN2O2 — CID 156789139

IUPAC(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.N[C@@H](c1ccco1)[C@@H](N)c1ccco1
InChIInChI=1S/C10H12N2O2.ClH/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8;/h1-6,9-10H,11-12H2;1H/t9-,10-;/m0./s1
InChIKeyNRJKVGDIUZELAH-IYPAPVHQSA-N
MW228.68 g/mol
LogP1.99
Rot. Bonds3

About (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride

(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 156789139) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
PubChem CID156789139
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.N[C@@H](c1ccco1)[C@@H](N)c1ccco1
InChIInChI=1S/C10H12N2O2.ClH/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8;/h1-6,9-10H,11-12H2;1H/t9-,10-;/m0./s1
InChIKeyNRJKVGDIUZELAH-IYPAPVHQSA-N
XLogP1.99
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103309644
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(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
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(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
CID 171231702
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1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
2-amino-2-(furan-2-yl)ethanol
CID 54048773
cyclobutyl(furan-2-yl)methanamine;hydrochloride
CID 86263195
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
2-cyclopropyl-1-(furan-2-yl)-2-methoxyethanamine
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CID 58735829

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride (CID 156789139) is (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride is Cl.N[C@@H](c1ccco1)[C@@H](N)c1ccco1.
What is the InChIKey of (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is NRJKVGDIUZELAH-IYPAPVHQSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8;/h1-6,9-10H,11-12H2;1H/t9-,10-;/m0./s1.
What are the key properties of (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride?
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 156789139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).