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

C10H22N2O — CID 82837502

IUPACN'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
SMILESCC1CCC(CN(C)CCCN)O1
InChIInChI=1S/C10H22N2O/c1-9-4-5-10(13-9)8-12(2)7-3-6-11/h9-10H,3-8,11H2,1-2H3
InChIKeyLVYVYNHGXATKON-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds5

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

N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine (PubChem CID 82837502) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
PubChem CID82837502
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
SMILESCC1CCC(CN(C)CCCN)O1
InChIInChI=1S/C10H22N2O/c1-9-4-5-10(13-9)8-12(2)7-3-6-11/h9-10H,3-8,11H2,1-2H3
InChIKeyLVYVYNHGXATKON-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine (CID 82837502) is N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine is CC1CCC(CN(C)CCCN)O1.
What is the InChIKey of N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine?
The InChIKey is LVYVYNHGXATKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9-4-5-10(13-9)8-12(2)7-3-6-11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine?
N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 5 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]propane-1,3-diamine is sourced from PubChem (CID 82837502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).