N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine

C15H24N2O — CID 62779870

IUPACN-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
SMILESCN(C1CCOCC1)C(CCN)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-17(14-8-11-18-12-9-14)15(7-10-16)13-5-3-2-4-6-13/h2-6,14-15H,7-12,16H2,1H3
InChIKeyKQJHRSJHTJLVKN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine

N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine (PubChem CID 62779870) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
PubChem CID62779870
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
SMILESCN(C1CCOCC1)C(CCN)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-17(14-8-11-18-12-9-14)15(7-10-16)13-5-3-2-4-6-13/h2-6,14-15H,7-12,16H2,1H3
InChIKeyKQJHRSJHTJLVKN-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine (CID 62779870) is N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine is CN(C1CCOCC1)C(CCN)c1ccccc1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is KQJHRSJHTJLVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(14-8-11-18-12-9-14)15(7-10-16)13-5-3-2-4-6-13/h2-6,14-15H,7-12,16H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine?
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62779870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).