N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine

C13H28N2O2 — CID 62582572

IUPACN',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOCC1CCOC1
InChIInChI=1S/C13H28N2O2/c1-3-15(4-2)8-6-14-7-10-17-12-13-5-9-16-11-13/h13-14H,3-12H2,1-2H3
InChIKeyAMYPINYEIGGTIX-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds10

About N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine (PubChem CID 62582572) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
PubChem CID62582572
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOCC1CCOC1
InChIInChI=1S/C13H28N2O2/c1-3-15(4-2)8-6-14-7-10-17-12-13-5-9-16-11-13/h13-14H,3-12H2,1-2H3
InChIKeyAMYPINYEIGGTIX-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645218
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62573118
N-[2-(oxolan-3-ylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62582382
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62575446
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461
N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine
CID 115718476
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111648403

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine (CID 62582572) is N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine is CCN(CC)CCNCCOCC1CCOC1.
What is the InChIKey of N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is AMYPINYEIGGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-15(4-2)8-6-14-7-10-17-12-13-5-9-16-11-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62582572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).