N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

C8H18N2O — CID 43610817

IUPACN'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(CCN)C1CCOCC1
InChIInChI=1S/C8H18N2O/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-7,9H2,1H3
InChIKeyIYBLOPIXTVXFFW-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.06
Rot. Bonds3

About N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 43610817) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID43610817
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(CCN)C1CCOCC1
InChIInChI=1S/C8H18N2O/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-7,9H2,1H3
InChIKeyIYBLOPIXTVXFFW-UHFFFAOYSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 43610817) is N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is CN(CCN)C1CCOCC1.
What is the InChIKey of N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is IYBLOPIXTVXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-7,9H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43610817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).