(2R,3R)-2-(furan-2-yl)butane-1,3-diamine

C8H14N2O — CID 135003388

IUPAC(2R,3R)-2-(furan-2-yl)butane-1,3-diamine
SMILESC[C@@H](N)[C@@H](CN)c1ccco1
InChIInChI=1S/C8H14N2O/c1-6(10)7(5-9)8-3-2-4-11-8/h2-4,6-7H,5,9-10H2,1H3/t6-,7-/m1/s1
InChIKeyNKABNFMCJRPPDO-RNFRBKRXSA-N
MW154.21 g/mol
LogP0.67
Rot. Bonds3

About (2R,3R)-2-(furan-2-yl)butane-1,3-diamine

(2R,3R)-2-(furan-2-yl)butane-1,3-diamine (PubChem CID 135003388) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R,3R)-2-(furan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name(2R,3R)-2-(furan-2-yl)butane-1,3-diamine
PubChem CID135003388
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2R,3R)-2-(furan-2-yl)butane-1,3-diamine
SMILESC[C@@H](N)[C@@H](CN)c1ccco1
InChIInChI=1S/C8H14N2O/c1-6(10)7(5-9)8-3-2-4-11-8/h2-4,6-7H,5,9-10H2,1H3/t6-,7-/m1/s1
InChIKeyNKABNFMCJRPPDO-RNFRBKRXSA-N
XLogP0.67
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(furan-2-yl)butane-1,3-diamine?
The IUPAC name of (2R,3R)-2-(furan-2-yl)butane-1,3-diamine (CID 135003388) is (2R,3R)-2-(furan-2-yl)butane-1,3-diamine.
What is the SMILES notation for (2R,3R)-2-(furan-2-yl)butane-1,3-diamine?
The canonical SMILES for (2R,3R)-2-(furan-2-yl)butane-1,3-diamine is C[C@@H](N)[C@@H](CN)c1ccco1.
What is the InChIKey of (2R,3R)-2-(furan-2-yl)butane-1,3-diamine?
The InChIKey is NKABNFMCJRPPDO-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(10)7(5-9)8-3-2-4-11-8/h2-4,6-7H,5,9-10H2,1H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2-(furan-2-yl)butane-1,3-diamine?
(2R,3R)-2-(furan-2-yl)butane-1,3-diamine has a molecular weight of 154.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(furan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 135003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).