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

C9H20N2O — CID 79093083

IUPACN',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C)CC(N)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-11(2)7-9(10)8-3-5-12-6-4-8/h8-9H,3-7,10H2,1-2H3
InChIKeyARLRTXZWQKMXDI-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds3

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

N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 79093083) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID79093083
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C)CC(N)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-11(2)7-9(10)8-3-5-12-6-4-8/h8-9H,3-7,10H2,1-2H3
InChIKeyARLRTXZWQKMXDI-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine (CID 79093083) is N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine is CN(C)CC(N)C1CCOCC1.
What is the InChIKey of N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is ARLRTXZWQKMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(2)7-9(10)8-3-5-12-6-4-8/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 79093083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).