(2S,3S)-2,3-diethoxybutane-1,4-diamine

C8H20N2O2 — CID 14293145

IUPAC(2S,3S)-2,3-diethoxybutane-1,4-diamine
SMILESCCO[C@@H](CN)[C@H](CN)OCC
InChIInChI=1S/C8H20N2O2/c1-3-11-7(5-9)8(6-10)12-4-2/h7-8H,3-6,9-10H2,1-2H3/t7-,8-/m0/s1
InChIKeyXMLNGDVFPUGPTG-YUMQZZPRSA-N
MW176.26 g/mol
LogP-1.10
Rot. Bonds7

About (2S,3S)-2,3-diethoxybutane-1,4-diamine

(2S,3S)-2,3-diethoxybutane-1,4-diamine (PubChem CID 14293145) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S,3S)-2,3-diethoxybutane-1,4-diamine.

Molecular Properties

Compound Name(2S,3S)-2,3-diethoxybutane-1,4-diamine
PubChem CID14293145
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name(2S,3S)-2,3-diethoxybutane-1,4-diamine
SMILESCCO[C@@H](CN)[C@H](CN)OCC
InChIInChI=1S/C8H20N2O2/c1-3-11-7(5-9)8(6-10)12-4-2/h7-8H,3-6,9-10H2,1-2H3/t7-,8-/m0/s1
InChIKeyXMLNGDVFPUGPTG-YUMQZZPRSA-N
XLogP-1.10
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity89

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminomethyl-18-crown-6
CID 5080255
2-Aminomethyl-15-crown-5
CID 5204231
Jeffamine
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(2R)-2,3-dimethoxypropan-1-amine
CID 94858066
rac-1-((2R,3S)-3-methyl-1,4-dioxan-2-yl)methanamine hydrochloride
CID 165948740
(2r)-1-[(2r)-2-(2-Methoxyethoxy)propoxy]propan-2-Amine
CID 91819620
(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
CID 155295715
(2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
(2~{S})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
CID 157049299
(2R)-2-ethoxybutane-1,4-diamine
CID 11589357
1-(2-[2-(2-Aminoethoxy)ethoxy]ethoxy)propane
CID 20486006
Bis(3 aminopropoxy)butane
CID 20541461

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-diethoxybutane-1,4-diamine?
The IUPAC name of (2S,3S)-2,3-diethoxybutane-1,4-diamine (CID 14293145) is (2S,3S)-2,3-diethoxybutane-1,4-diamine.
What is the SMILES notation for (2S,3S)-2,3-diethoxybutane-1,4-diamine?
The canonical SMILES for (2S,3S)-2,3-diethoxybutane-1,4-diamine is CCO[C@@H](CN)[C@H](CN)OCC.
What is the InChIKey of (2S,3S)-2,3-diethoxybutane-1,4-diamine?
The InChIKey is XMLNGDVFPUGPTG-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-3-11-7(5-9)8(6-10)12-4-2/h7-8H,3-6,9-10H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2,3-diethoxybutane-1,4-diamine?
(2S,3S)-2,3-diethoxybutane-1,4-diamine has a molecular weight of 176.26 g/mol, XLogP of -1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-diethoxybutane-1,4-diamine is sourced from PubChem (CID 14293145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).