N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine

C10H22N2O — CID 104744694

IUPACN'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)C1CCOC1
InChIInChI=1S/C10H22N2O/c1-3-5-12(2)7-10(11)9-4-6-13-8-9/h9-10H,3-8,11H2,1-2H3
InChIKeyOKIOMOORKMWOAB-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds5

About N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine

N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine (PubChem CID 104744694) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
PubChem CID104744694
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)C1CCOC1
InChIInChI=1S/C10H22N2O/c1-3-5-12(2)7-10(11)9-4-6-13-8-9/h9-10H,3-8,11H2,1-2H3
InChIKeyOKIOMOORKMWOAB-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
1-(oxolan-3-yl)butan-1-amine
CID 63564938
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
N'-methyl-1-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
CID 104744324
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745597
N'-ethyl-N'-(4-fluorophenyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448205

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine (CID 104744694) is N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine is CCCN(C)CC(N)C1CCOC1.
What is the InChIKey of N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine?
The InChIKey is OKIOMOORKMWOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-5-12(2)7-10(11)9-4-6-13-8-9/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine?
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 104744694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).