(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine

C9H16N2O — CID 130856720

IUPAC(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
SMILESCc1cc([C@H](N)CCN)oc1C
InChIInChI=1S/C9H16N2O/c1-6-5-9(12-7(6)2)8(11)3-4-10/h5,8H,3-4,10-11H2,1-2H3/t8-/m1/s1
InChIKeyXUDCRUIUOPMTLQ-MRVPVSSYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds3

About (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine

(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine (PubChem CID 130856720) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
PubChem CID130856720
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
SMILESCc1cc([C@H](N)CCN)oc1C
InChIInChI=1S/C9H16N2O/c1-6-5-9(12-7(6)2)8(11)3-4-10/h5,8H,3-4,10-11H2,1-2H3/t8-/m1/s1
InChIKeyXUDCRUIUOPMTLQ-MRVPVSSYSA-N
XLogP1.25
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 55275935
(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
CID 130668303
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanenitrile
CID 131082143
3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 114248905
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanoic acid
CID 130699855
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
CID 171213830
(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine
CID 130804019
(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
CID 130665704
(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 114248943
(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171233483
(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
CID 130707882
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine (CID 130856720) is (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine is Cc1cc([C@H](N)CCN)oc1C.
What is the InChIKey of (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine?
The InChIKey is XUDCRUIUOPMTLQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-5-9(12-7(6)2)8(11)3-4-10/h5,8H,3-4,10-11H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine?
(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine is sourced from PubChem (CID 130856720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).