N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine

C13H28N2O — CID 106040718

IUPACN'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC1CCC(CNCCCN(C)C(C)C)O1
InChIInChI=1S/C13H28N2O/c1-11(2)15(4)9-5-8-14-10-13-7-6-12(3)16-13/h11-14H,5-10H2,1-4H3
InChIKeyXLWQCEYKSXHRHS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds7

About N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine

N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106040718) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106040718
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC1CCC(CNCCCN(C)C(C)C)O1
InChIInChI=1S/C13H28N2O/c1-11(2)15(4)9-5-8-14-10-13-7-6-12(3)16-13/h11-14H,5-10H2,1-4H3
InChIKeyXLWQCEYKSXHRHS-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
N-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 82834516
N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007697
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
2-N,2-N-dimethyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 82835760
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-1,3-diamine
CID 106040479
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
2-ethoxy-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833976
3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904444
N,N-dimethyl-1-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415650
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
CID 106333857

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (CID 106040718) is N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine is CC1CCC(CNCCCN(C)C(C)C)O1.
What is the InChIKey of N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is XLWQCEYKSXHRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(4)9-5-8-14-10-13-7-6-12(3)16-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106040718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).