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

C13H28N2O2 — CID 82836412

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)C1CCCO1
InChIInChI=1S/C13H28N2O2/c1-11(2)10-15(6-8-16-3)12(9-14)13-5-4-7-17-13/h11-13H,4-10,14H2,1-3H3
InChIKeyANIRRHPZBVCRLP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds8

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

N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82836412) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82836412
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)C1CCCO1
InChIInChI=1S/C13H28N2O2/c1-11(2)10-15(6-8-16-3)12(9-14)13-5-4-7-17-13/h11-13H,4-10,14H2,1-3H3
InChIKeyANIRRHPZBVCRLP-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835302
1-cyclopentyl-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62070724
N,N-bis(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835200
N-butan-2-yl-N-methyl-1-(oxolan-2-yl)ethane-1,2-diamine
CID 82835095
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',N'-bis(2-methoxyethyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62561783
N-(2-methoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742177
N-butan-2-yl-N-(2-methoxyethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82836012
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62554677
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
2-[2-methoxyethyl(2-methylpropyl)amino]propanamide
CID 62901426

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82836412) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine is COCCN(CC(C)C)C(CN)C1CCCO1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is ANIRRHPZBVCRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)10-15(6-8-16-3)12(9-14)13-5-4-7-17-13/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82836412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).