N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine

C12H26N2O2 — CID 62844681

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNCC1CCCCO1
InChIInChI=1S/C12H26N2O2/c1-14(8-10-15-2)7-6-13-11-12-5-3-4-9-16-12/h12-13H,3-11H2,1-2H3
InChIKeyUTJOTZCKFLGMHZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62844681) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62844681
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCN(C)CCNCC1CCCCO1
InChIInChI=1S/C12H26N2O2/c1-14(8-10-15-2)7-6-13-11-12-5-3-4-9-16-12/h12-13H,3-11H2,1-2H3
InChIKeyUTJOTZCKFLGMHZ-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
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'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)ethanamine
CID 102656856
N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62555829
2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 65023581
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine (CID 62844681) is N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is COCCN(C)CCNCC1CCCCO1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is UTJOTZCKFLGMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14(8-10-15-2)7-6-13-11-12-5-3-4-9-16-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62844681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).