2,5-dimethoxyhexane-1,6-diamine

C8H20N2O2 — CID 141495487

IUPAC2,5-dimethoxyhexane-1,6-diamine
SMILESCOC(CN)CCC(CN)OC
InChIInChI=1S/C8H20N2O2/c1-11-7(5-9)3-4-8(6-10)12-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyPBYGDGUPLMTCPW-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.29
Rot. Bonds7

About 2,5-dimethoxyhexane-1,6-diamine

2,5-dimethoxyhexane-1,6-diamine (PubChem CID 141495487) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,5-dimethoxyhexane-1,6-diamine.

Molecular Properties

Compound Name2,5-dimethoxyhexane-1,6-diamine
PubChem CID141495487
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2,5-dimethoxyhexane-1,6-diamine
SMILESCOC(CN)CCC(CN)OC
InChIInChI=1S/C8H20N2O2/c1-11-7(5-9)3-4-8(6-10)12-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyPBYGDGUPLMTCPW-UHFFFAOYSA-N
XLogP-0.29
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-phosphanylbutan-1-amine
CID 87619461
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
(2S)-2-methoxybutan-1-amine
CID 42427147
4-cyclopropyl-2-methoxybutan-1-amine
CID 130967935
ethane;3-methoxy-5-methylhexan-1-amine
CID 178106787
2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103534891
4,4,4-trifluoro-2-methoxybutan-1-amine
CID 105430601
2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 159359399
2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
CID 103152493
2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine
CID 103152753
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
CID 103152801

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxyhexane-1,6-diamine?
The IUPAC name of 2,5-dimethoxyhexane-1,6-diamine (CID 141495487) is 2,5-dimethoxyhexane-1,6-diamine.
What is the SMILES notation for 2,5-dimethoxyhexane-1,6-diamine?
The canonical SMILES for 2,5-dimethoxyhexane-1,6-diamine is COC(CN)CCC(CN)OC.
What is the InChIKey of 2,5-dimethoxyhexane-1,6-diamine?
The InChIKey is PBYGDGUPLMTCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-11-7(5-9)3-4-8(6-10)12-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2,5-dimethoxyhexane-1,6-diamine?
2,5-dimethoxyhexane-1,6-diamine has a molecular weight of 176.26 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxyhexane-1,6-diamine is sourced from PubChem (CID 141495487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).