N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine

C15H24N2O — CID 82733792

IUPACN'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
SMILESCC1OCCC1N(C)CC(CN)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12-15(8-9-18-12)17(2)11-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyDOWYTRCWMNANLY-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.84
Rot. Bonds5

About N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine

N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine (PubChem CID 82733792) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
PubChem CID82733792
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
SMILESCC1OCCC1N(C)CC(CN)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12-15(8-9-18-12)17(2)11-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyDOWYTRCWMNANLY-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine (CID 82733792) is N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine is CC1OCCC1N(C)CC(CN)c1ccccc1.
What is the InChIKey of N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine?
The InChIKey is DOWYTRCWMNANLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-15(8-9-18-12)17(2)11-14(10-16)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3.
What are the key properties of N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine?
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 82733792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).