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

C9H20N2O — CID 43611353

IUPACN,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-10-5-6-11(2)9-3-7-12-8-4-9/h9-10H,3-8H2,1-2H3
InChIKeyCHJVVXAOETVPPB-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds4

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

N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 43611353) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID43611353
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1CCOCC1
InChIInChI=1S/C9H20N2O/c1-10-5-6-11(2)9-3-7-12-8-4-9/h9-10H,3-8H2,1-2H3
InChIKeyCHJVVXAOETVPPB-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 43611353) is N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine is CNCCN(C)C1CCOCC1.
What is the InChIKey of N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is CHJVVXAOETVPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-5-6-11(2)9-3-7-12-8-4-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43611353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).