N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

C9H20N2O — CID 82722831

IUPACN',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1NCCN(C)C
InChIInChI=1S/C9H20N2O/c1-8-9(4-7-12-8)10-5-6-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyZRMDWSURIQTTJE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds4

About N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 82722831) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID82722831
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1NCCN(C)C
InChIInChI=1S/C9H20N2O/c1-8-9(4-7-12-8)10-5-6-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyZRMDWSURIQTTJE-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
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-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 82722831) is N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine is CC1OCCC1NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ZRMDWSURIQTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-9(4-7-12-8)10-5-6-11(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 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-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82722831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).