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

C9H16N2O — CID 130804019

IUPAC(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine
SMILESCc1cc([C@H](N)[C@H](C)N)oc1C
InChIInChI=1S/C9H16N2O/c1-5-4-8(12-7(5)3)9(11)6(2)10/h4,6,9H,10-11H2,1-3H3/t6-,9+/m0/s1
InChIKeyXLLQNNVRMJDPLM-IMTBSYHQSA-N
MW168.24 g/mol
LogP1.24
Rot. Bonds2

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

(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine (PubChem CID 130804019) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine
PubChem CID130804019
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine
SMILESCc1cc([C@H](N)[C@H](C)N)oc1C
InChIInChI=1S/C9H16N2O/c1-5-4-8(12-7(5)3)9(11)6(2)10/h4,6,9H,10-11H2,1-3H3/t6-,9+/m0/s1
InChIKeyXLLQNNVRMJDPLM-IMTBSYHQSA-N
XLogP1.24
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
CID 130665704
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
CID 171213830
(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171233483
4-amino-4-(4,5-dimethylfuran-2-yl)-3-methylbutanal
CID 174729534
(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
CID 130668303
(1R)-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 55275935
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanenitrile
CID 131082143
(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
CID 130856720
(1S)-1-(4,5-dimethylfuran-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131454371
ethyl (3S)-3-amino-3-(4,5-dimethylfuran-2-yl)-2-fluoropropanoate;hydrochloride
CID 171250992
5-[(2R)-but-3-yn-2-yl]-2,3-dimethylfuran
CID 143076954
(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
CID 130707882

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine?
The IUPAC name of (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine (CID 130804019) is (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine.
What is the SMILES notation for (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine?
The canonical SMILES for (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine is Cc1cc([C@H](N)[C@H](C)N)oc1C.
What is the InChIKey of (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine?
The InChIKey is XLLQNNVRMJDPLM-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-4-8(12-7(5)3)9(11)6(2)10/h4,6,9H,10-11H2,1-3H3/t6-,9+/m0/s1.
What are the key properties of (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine?
(1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4,5-dimethylfuran-2-yl)propane-1,2-diamine is sourced from PubChem (CID 130804019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).