1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine

C13H30N2O2 — CID 81019237

IUPAC1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
SMILESCCNCC(C)C(C)N(CCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-6-14-11-12(2)13(3)15(7-9-16-4)8-10-17-5/h12-14H,6-11H2,1-5H3
InChIKeyCSQPFDFMRGUCLX-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.22
Rot. Bonds11

About 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine

1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine (PubChem CID 81019237) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
PubChem CID81019237
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
SMILESCCNCC(C)C(C)N(CCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-6-14-11-12(2)13(3)15(7-9-16-4)8-10-17-5/h12-14H,6-11H2,1-5H3
InChIKeyCSQPFDFMRGUCLX-UHFFFAOYSA-N
XLogP1.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine
CID 79409479
3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019817
1-N-ethyl-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 62461616
2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 55072484
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673
1-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 82952792
1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011772
1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 81012403
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
N-ethyl-N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339273

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine (CID 81019237) is 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine is CCNCC(C)C(C)N(CCOC)CCOC.
What is the InChIKey of 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine?
The InChIKey is CSQPFDFMRGUCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-6-14-11-12(2)13(3)15(7-9-16-4)8-10-17-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine?
1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine is sourced from PubChem (CID 81019237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).