3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine

C11H24N2O2 — CID 103140103

IUPAC3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
SMILESCOCC(N)CN(C)CC1CCC(C)O1
InChIInChI=1S/C11H24N2O2/c1-9-4-5-11(15-9)7-13(2)6-10(12)8-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyKCZJLQSIIBWPCU-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds6

About 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine

3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine (PubChem CID 103140103) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
PubChem CID103140103
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
SMILESCOCC(N)CN(C)CC1CCC(C)O1
InChIInChI=1S/C11H24N2O2/c1-9-4-5-11(15-9)7-13(2)6-10(12)8-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyKCZJLQSIIBWPCU-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102900998
2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
CID 82839853
N'-(2-methoxyethyl)-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
CID 103133649
1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
CID 81101411
3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 64775509
3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 63937893
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 66395086
4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
CID 63234503
4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 63859672
1-methoxy-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 82833761
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 103139985
1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine (CID 103140103) is 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine is COCC(N)CN(C)CC1CCC(C)O1.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine?
The InChIKey is KCZJLQSIIBWPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9-4-5-11(15-9)7-13(2)6-10(12)8-14-3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.46, 6 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-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103140103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).