2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine

C8H20N2O — CID 106114512

IUPAC2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CC(CN)OC
InChIInChI=1S/C8H20N2O/c1-4-5-10(2)7-8(6-9)11-3/h8H,4-7,9H2,1-3H3
InChIKeyRAIYOOXZVVBXAO-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds6

About 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine

2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine (PubChem CID 106114512) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
PubChem CID106114512
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CC(CN)OC
InChIInChI=1S/C8H20N2O/c1-4-5-10(2)7-8(6-9)11-3/h8H,4-7,9H2,1-3H3
InChIKeyRAIYOOXZVVBXAO-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine
CID 106115011
2-methoxypropane-1,3-diamine;2-methoxy-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 159359399
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 106114990
(2S)-2-methoxybutan-1-amine
CID 42427147
N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366119
2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 106114460
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
CID 63070098
methyl 2-[[methyl(propyl)amino]methyl]butanoate
CID 115253043
N'-ethyl-2-methoxy-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 106114714

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine (CID 106114512) is 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine is CCCN(C)CC(CN)OC.
What is the InChIKey of 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is RAIYOOXZVVBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-5-10(2)7-8(6-9)11-3/h8H,4-7,9H2,1-3H3.
What are the key properties of 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine?
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 106114512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).