2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine

C11H24N2O — CID 103227279

IUPAC2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCNCC(COC)N(C)C1CCC1
InChIInChI=1S/C11H24N2O/c1-4-12-8-11(9-14-3)13(2)10-6-5-7-10/h10-12H,4-9H2,1-3H3
InChIKeyDTTQXENEBITBQH-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds7

About 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine

2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine (PubChem CID 103227279) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
PubChem CID103227279
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCCNCC(COC)N(C)C1CCC1
InChIInChI=1S/C11H24N2O/c1-4-12-8-11(9-14-3)13(2)10-6-5-7-10/h10-12H,4-9H2,1-3H3
InChIKeyDTTQXENEBITBQH-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4,4-dimethylcyclohexyl)-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226991
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
2-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-(2-methylpropyl)propane-1,2-diamine
CID 103226975
2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 103226992
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
2-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225536
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
3-methoxy-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103227138
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225819
2-N-cyclohexyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62557645
2-(2-cyclobutylethoxy)-N-ethyl-3-methoxypropan-1-amine
CID 106206168

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine (CID 103227279) is 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine is CCNCC(COC)N(C)C1CCC1.
What is the InChIKey of 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
The InChIKey is DTTQXENEBITBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-12-8-11(9-14-3)13(2)10-6-5-7-10/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine?
2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclobutyl-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103227279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).