(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine

C8H20N2O3 — CID 91402432

IUPAC(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine
SMILESCOC([C@H](CN)OC)[C@H](CN)OC
InChIInChI=1S/C8H20N2O3/c1-11-6(4-9)8(13-3)7(5-10)12-2/h6-8H,4-5,9-10H2,1-3H3/t6-,7-/m0/s1
InChIKeyOJNLJSXXNBMQPG-BQBZGAKWSA-N
MW192.26 g/mol
LogP-1.05
Rot. Bonds7

About (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine

(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine (PubChem CID 91402432) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine.

Molecular Properties

Compound Name(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine
PubChem CID91402432
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Name(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine
SMILESCOC([C@H](CN)OC)[C@H](CN)OC
InChIInChI=1S/C8H20N2O3/c1-11-6(4-9)8(13-3)7(5-10)12-2/h6-8H,4-5,9-10H2,1-3H3/t6-,7-/m0/s1
InChIKeyOJNLJSXXNBMQPG-BQBZGAKWSA-N
XLogP-1.05
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine?
The IUPAC name of (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine (CID 91402432) is (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine.
What is the SMILES notation for (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine?
The canonical SMILES for (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine is COC([C@H](CN)OC)[C@H](CN)OC.
What is the InChIKey of (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine?
The InChIKey is OJNLJSXXNBMQPG-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H20N2O3/c1-11-6(4-9)8(13-3)7(5-10)12-2/h6-8H,4-5,9-10H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine?
(2S,4S)-2,3,4-trimethoxypentane-1,5-diamine has a molecular weight of 192.26 g/mol, XLogP of -1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,3,4-trimethoxypentane-1,5-diamine is sourced from PubChem (CID 91402432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).