1,3,5-trimethoxypentane-2,4-diamine

C8H20N2O3 — CID 88989163

IUPAC1,3,5-trimethoxypentane-2,4-diamine
SMILESCOCC(N)C(OC)C(N)COC
InChIInChI=1S/C8H20N2O3/c1-11-4-6(9)8(13-3)7(10)5-12-2/h6-8H,4-5,9-10H2,1-3H3
InChIKeyLMOFIWZWZLTRNB-UHFFFAOYSA-N
MW192.26 g/mol
LogP-1.05
Rot. Bonds7

About 1,3,5-trimethoxypentane-2,4-diamine

1,3,5-trimethoxypentane-2,4-diamine (PubChem CID 88989163) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,3,5-trimethoxypentane-2,4-diamine.

Molecular Properties

Compound Name1,3,5-trimethoxypentane-2,4-diamine
PubChem CID88989163
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Name1,3,5-trimethoxypentane-2,4-diamine
SMILESCOCC(N)C(OC)C(N)COC
InChIInChI=1S/C8H20N2O3/c1-11-4-6(9)8(13-3)7(10)5-12-2/h6-8H,4-5,9-10H2,1-3H3
InChIKeyLMOFIWZWZLTRNB-UHFFFAOYSA-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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Related Compounds

(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(2R,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
1-methoxy-3-methylhexan-2-amine
CID 105008836
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
1,2,5,6-tetramethoxyhexane
CID 18679814
1,2,3-trimethoxy-4-methylpentane
CID 23384640
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxypentane-2,4-diamine?
The IUPAC name of 1,3,5-trimethoxypentane-2,4-diamine (CID 88989163) is 1,3,5-trimethoxypentane-2,4-diamine.
What is the SMILES notation for 1,3,5-trimethoxypentane-2,4-diamine?
The canonical SMILES for 1,3,5-trimethoxypentane-2,4-diamine is COCC(N)C(OC)C(N)COC.
What is the InChIKey of 1,3,5-trimethoxypentane-2,4-diamine?
The InChIKey is LMOFIWZWZLTRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3/c1-11-4-6(9)8(13-3)7(10)5-12-2/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 1,3,5-trimethoxypentane-2,4-diamine?
1,3,5-trimethoxypentane-2,4-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 1,3,5-trimethoxypentane-2,4-diamine is sourced from PubChem (CID 88989163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).