(2R)-2-ethoxybutane-1,4-diamine

C6H16N2O — CID 11589357

IUPAC(2R)-2-ethoxybutane-1,4-diamine
SMILESCCO[C@@H](CN)CCN
InChIInChI=1S/C6H16N2O/c1-2-9-6(5-8)3-4-7/h6H,2-5,7-8H2,1H3/t6-/m1/s1
InChIKeyASNKHBBTEQNYFQ-ZCFIWIBFSA-N
MW132.21 g/mol
LogP-0.30
Rot. Bonds5

About (2R)-2-ethoxybutane-1,4-diamine

(2R)-2-ethoxybutane-1,4-diamine (PubChem CID 11589357) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is (2R)-2-ethoxybutane-1,4-diamine.

Molecular Properties

Compound Name(2R)-2-ethoxybutane-1,4-diamine
PubChem CID11589357
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name(2R)-2-ethoxybutane-1,4-diamine
SMILESCCO[C@@H](CN)CCN
InChIInChI=1S/C6H16N2O/c1-2-9-6(5-8)3-4-7/h6H,2-5,7-8H2,1H3/t6-/m1/s1
InChIKeyASNKHBBTEQNYFQ-ZCFIWIBFSA-N
XLogP-0.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxybutane-1,4-diamine?
The IUPAC name of (2R)-2-ethoxybutane-1,4-diamine (CID 11589357) is (2R)-2-ethoxybutane-1,4-diamine.
What is the SMILES notation for (2R)-2-ethoxybutane-1,4-diamine?
The canonical SMILES for (2R)-2-ethoxybutane-1,4-diamine is CCO[C@@H](CN)CCN.
What is the InChIKey of (2R)-2-ethoxybutane-1,4-diamine?
The InChIKey is ASNKHBBTEQNYFQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2O/c1-2-9-6(5-8)3-4-7/h6H,2-5,7-8H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-ethoxybutane-1,4-diamine?
(2R)-2-ethoxybutane-1,4-diamine has a molecular weight of 132.21 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxybutane-1,4-diamine is sourced from PubChem (CID 11589357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).