4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine

C15H32N2O — CID 79484117

IUPAC4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine
SMILESCCC(CC)N(CC(C)C)C1COCCC1NC
InChIInChI=1S/C15H32N2O/c1-6-13(7-2)17(10-12(3)4)15-11-18-9-8-14(15)16-5/h12-16H,6-11H2,1-5H3
InChIKeyASGAIEGVJQYRIL-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine

4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine (PubChem CID 79484117) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine
PubChem CID79484117
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine
SMILESCCC(CC)N(CC(C)C)C1COCCC1NC
InChIInChI=1S/C15H32N2O/c1-6-13(7-2)17(10-12(3)4)15-11-18-9-8-14(15)16-5/h12-16H,6-11H2,1-5H3
InChIKeyASGAIEGVJQYRIL-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine?
The IUPAC name of 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine (CID 79484117) is 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine.
What is the SMILES notation for 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine?
The canonical SMILES for 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine is CCC(CC)N(CC(C)C)C1COCCC1NC.
What is the InChIKey of 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine?
The InChIKey is ASGAIEGVJQYRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-13(7-2)17(10-12(3)4)15-11-18-9-8-14(15)16-5/h12-16H,6-11H2,1-5H3.
What are the key properties of 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine?
4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine is sourced from PubChem (CID 79484117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).