1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

C11H24N2O — CID 82835932

IUPAC1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)C1CCC(C)O1
InChIInChI=1S/C11H24N2O/c1-8(2)7-13-10(6-12)11-5-4-9(3)14-11/h8-11,13H,4-7,12H2,1-3H3
InChIKeyVOERDGOJKNWICO-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.13
Rot. Bonds5

About 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 82835932) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID82835932
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNC(CN)C1CCC(C)O1
InChIInChI=1S/C11H24N2O/c1-8(2)7-13-10(6-12)11-5-4-9(3)14-11/h8-11,13H,4-7,12H2,1-3H3
InChIKeyVOERDGOJKNWICO-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Propanediamine, 2-methyl-N-(tetrahydrofurfuryl)-
CID 3057146
N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089660
N'-ethyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553666
N-[1-(oxolan-2-yl)ethyl]-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555635
N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555648
N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 65532302
N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine
CID 80696129
3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 81105560
1-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 82836431
1-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 82836432
N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82837520
N-(2,2-difluoroethyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82837521

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 82835932) is 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNC(CN)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is VOERDGOJKNWICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)7-13-10(6-12)11-5-4-9(3)14-11/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 82835932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).