N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C13H28N2O3 — CID 82835200

IUPACN,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)C1CCC(C)O1
InChIInChI=1S/C13H28N2O3/c1-11-4-5-13(18-11)12(10-14)15(6-8-16-2)7-9-17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyXVHIDWJBSVBAIN-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.48
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835200) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82835200
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)C1CCC(C)O1
InChIInChI=1S/C13H28N2O3/c1-11-4-5-13(18-11)12(10-14)15(6-8-16-2)7-9-17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyXVHIDWJBSVBAIN-UHFFFAOYSA-N
XLogP0.48
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836012
N-cyclopropyl-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835693
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835302
4-methoxy-1-(5-methyloxolan-2-yl)butan-1-amine
CID 105054843
N-cyclopropyl-N-(cyclopropylmethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835825
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82836412
N-methyl-N-(2-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836612
N-(cyclohexylmethyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836511
N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836610
N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 82835297
N'-(2-methoxyethyl)-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
CID 103133649
1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62070724

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82835200) is N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is COCCN(CCOC)C(CN)C1CCC(C)O1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is XVHIDWJBSVBAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-11-4-5-13(18-11)12(10-14)15(6-8-16-2)7-9-17-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).