3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine

C10H22N2O2 — CID 63937893

IUPAC3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
SMILESCOCC(N)CN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O2/c1-12(7-9(11)8-13-2)10-3-5-14-6-4-10/h9-10H,3-8,11H2,1-2H3
InChIKeyUDKXQCDWGNWPCJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.07
Rot. Bonds5

About 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine

3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine (PubChem CID 63937893) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
PubChem CID63937893
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
SMILESCOCC(N)CN(C)C1CCOCC1
InChIInChI=1S/C10H22N2O2/c1-12(7-9(11)8-13-2)10-3-5-14-6-4-10/h9-10H,3-8,11H2,1-2H3
InChIKeyUDKXQCDWGNWPCJ-UHFFFAOYSA-N
XLogP0.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
CID 81101623
3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 64775509
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608
N-(2-amino-3-methoxypropyl)-N-methyloxane-4-carboxamide
CID 63754571
3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 114356718
2-ethyl-N'-methyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 65228049
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
methyl 2-acetamido-3-[methyl(oxan-4-yl)amino]propanoate
CID 65444239
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
1-(2-methoxyethoxy)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 106992193
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid
CID 103224554

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine (CID 63937893) is 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine is COCC(N)CN(C)C1CCOCC1.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine?
The InChIKey is UDKXQCDWGNWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12(7-9(11)8-13-2)10-3-5-14-6-4-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine is sourced from PubChem (CID 63937893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).