N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine

C12H26N2O2 — CID 104745597

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCN(CC(N)C1CCOC1)C(C)COC
InChIInChI=1S/C12H26N2O2/c1-4-14(10(2)8-15-3)7-12(13)11-5-6-16-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyUBFGXBIRCSHFQR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.71
Rot. Bonds7

About N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104745597) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104745597
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCN(CC(N)C1CCOC1)C(C)COC
InChIInChI=1S/C12H26N2O2/c1-4-14(10(2)8-15-3)7-12(13)11-5-6-16-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyUBFGXBIRCSHFQR-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745513
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
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
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
1-(oxolan-3-yl)butan-1-amine
CID 63564938
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104745597) is N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine is CCN(CC(N)C1CCOC1)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is UBFGXBIRCSHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-14(10(2)8-15-3)7-12(13)11-5-6-16-9-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104745597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).