2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine

C8H20N2O2 — CID 106115064

IUPAC2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
SMILESCOC(C)CNCC(CN)OC
InChIInChI=1S/C8H20N2O2/c1-7(11-2)5-10-6-8(4-9)12-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyKMFZYZBKPZWTPK-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.42
Rot. Bonds7

About 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine

2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine (PubChem CID 106115064) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
PubChem CID106115064
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
SMILESCOC(C)CNCC(CN)OC
InChIInChI=1S/C8H20N2O2/c1-7(11-2)5-10-6-8(4-9)12-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyKMFZYZBKPZWTPK-UHFFFAOYSA-N
XLogP-0.42
TPSA56.51 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 ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine
CID 106115133
2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
2-(2-methoxypropylamino)acetonitrile
CID 102697955
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine
CID 106115135
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
2-methoxy-N-(2-methoxybutyl)butan-1-amine
CID 87913992
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
CID 106114896
(2S)-2-methoxybutan-1-amine
CID 42427147
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
CID 91623791

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine (CID 106115064) is 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine is COC(C)CNCC(CN)OC.
What is the InChIKey of 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine?
The InChIKey is KMFZYZBKPZWTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-7(11-2)5-10-6-8(4-9)12-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine?
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine has a molecular weight of 176.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine is sourced from PubChem (CID 106115064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).