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

C13H28N2O2 — CID 62573118

IUPACN',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOCC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-3-15(4-2)9-7-14-8-11-16-12-13-6-5-10-17-13/h13-14H,3-12H2,1-2H3
InChIKeyOPOAFPLSGIAKSU-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds10

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

N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine (PubChem CID 62573118) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
PubChem CID62573118
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOCC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-3-15(4-2)9-7-14-8-11-16-12-13-6-5-10-17-13/h13-14H,3-12H2,1-2H3
InChIKeyOPOAFPLSGIAKSU-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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

N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine (CID 62573118) is N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine is CCN(CC)CCNCCOCC1CCCO1.
What is the InChIKey of N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is OPOAFPLSGIAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-15(4-2)9-7-14-8-11-16-12-13-6-5-10-17-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 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-2-ylmethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62573118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).