N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine

C13H28N2O3 — CID 82835302

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)C1CCCO1
InChIInChI=1S/C13H28N2O3/c1-16-8-4-6-15(7-10-17-2)12(11-14)13-5-3-9-18-13/h12-13H,3-11,14H2,1-2H3
InChIKeyZALUFTZPGSJWGT-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.48
Rot. Bonds10

About N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835302) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835302
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)C1CCCO1
InChIInChI=1S/C13H28N2O3/c1-16-8-4-6-15(7-10-17-2)12(11-14)13-5-3-9-18-13/h12-13H,3-11,14H2,1-2H3
InChIKeyZALUFTZPGSJWGT-UHFFFAOYSA-N
XLogP0.48
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82836412
N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835200
N-methyl-1-(oxolan-2-yl)-N-propylethane-1,2-diamine
CID 82836501
N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine
CID 82835493
N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835095
N-(2-methoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742177
N',N'-bis(2-methoxyethyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62561783
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62070724
4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 105055058
N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836012
2-(dipropoxymethyl)oxolane
CID 12664780

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835302) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine is COCCCN(CCOC)C(CN)C1CCCO1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is ZALUFTZPGSJWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-16-8-4-6-15(7-10-17-2)12(11-14)13-5-3-9-18-13/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 0.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).