(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine

C10H18N2O — CID 104868153

IUPAC(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CN[C@H](C)CN)c(C)o1
InChIInChI=1S/C10H18N2O/c1-7(5-11)12-6-10-4-8(2)13-9(10)3/h4,7,12H,5-6,11H2,1-3H3/t7-/m1/s1
InChIKeyBJCIOCFQVBKXIJ-SSDOTTSWSA-N
MW182.27 g/mol
LogP1.33
Rot. Bonds4

About (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine

(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine (PubChem CID 104868153) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
PubChem CID104868153
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CN[C@H](C)CN)c(C)o1
InChIInChI=1S/C10H18N2O/c1-7(5-11)12-6-10-4-8(2)13-9(10)3/h4,7,12H,5-6,11H2,1-3H3/t7-/m1/s1
InChIKeyBJCIOCFQVBKXIJ-SSDOTTSWSA-N
XLogP1.33
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
CID 103992303
N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
CID 115908910
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine (CID 104868153) is (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine is Cc1cc(CN[C@H](C)CN)c(C)o1.
What is the InChIKey of (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine?
The InChIKey is BJCIOCFQVBKXIJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(5-11)12-6-10-4-8(2)13-9(10)3/h4,7,12H,5-6,11H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).