(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride

C8H15ClN2O — CID 171212323

IUPAC(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccoc1
InChIInChI=1S/C8H14N2O.ClH/c9-4-1-2-8(10)7-3-5-11-6-7;/h3,5-6,8H,1-2,4,9-10H2;1H/t8-;/m1./s1
InChIKeyHXTAZHKKFKSGRK-DDWIOCJRSA-N
MW190.67 g/mol
LogP1.44
Rot. Bonds4

About (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride

(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride (PubChem CID 171212323) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride
PubChem CID171212323
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccoc1
InChIInChI=1S/C8H14N2O.ClH/c9-4-1-2-8(10)7-3-5-11-6-7;/h3,5-6,8H,1-2,4,9-10H2;1H/t8-;/m1./s1
InChIKeyHXTAZHKKFKSGRK-DDWIOCJRSA-N
XLogP1.44
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride (CID 171212323) is (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@@H](N)c1ccoc1.
What is the InChIKey of (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride?
The InChIKey is HXTAZHKKFKSGRK-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c9-4-1-2-8(10)7-3-5-11-6-7;/h3,5-6,8H,1-2,4,9-10H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride?
(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171212323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).