3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine

C15H32N2O — CID 113489993

IUPAC3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOCCN(CC(C)C)C(C)(CN)CC1CCC1
InChIInChI=1S/C15H32N2O/c1-13(2)11-17(8-9-18-4)15(3,12-16)10-14-6-5-7-14/h13-14H,5-12,16H2,1-4H3
InChIKeyGOMGOSXQCNCOPB-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds9

About 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine

3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 113489993) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID113489993
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCOCCN(CC(C)C)C(C)(CN)CC1CCC1
InChIInChI=1S/C15H32N2O/c1-13(2)11-17(8-9-18-4)15(3,12-16)10-14-6-5-7-14/h13-14H,5-12,16H2,1-4H3
InChIKeyGOMGOSXQCNCOPB-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine (CID 113489993) is 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine is COCCN(CC(C)C)C(C)(CN)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is GOMGOSXQCNCOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)11-17(8-9-18-4)15(3,12-16)10-14-6-5-7-14/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine?
3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 113489993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).