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

C14H32N2O — CID 55072484

IUPAC2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(CCOC)C(C)CC
InChIInChI=1S/C14H32N2O/c1-7-13(5)16(9-10-17-6)14(12(3)4)11-15-8-2/h12-15H,7-11H2,1-6H3
InChIKeyFBGPFHXLKLUTLN-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds10

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

2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine (PubChem CID 55072484) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
PubChem CID55072484
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(CCOC)C(C)CC
InChIInChI=1S/C14H32N2O/c1-7-13(5)16(9-10-17-6)14(12(3)4)11-15-8-2/h12-15H,7-11H2,1-6H3
InChIKeyFBGPFHXLKLUTLN-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-2-N-(2-methoxyethyl)-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62462781
1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
CID 81019237
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019817
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62569622
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
N-ethyl-2-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 62455982
2-N-butan-2-yl-1-N-cyclopentyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 62570553
1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 62433170
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

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine (CID 55072484) is 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine is CCNCC(C(C)C)N(CCOC)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
The InChIKey is FBGPFHXLKLUTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-13(5)16(9-10-17-6)14(12(3)4)11-15-8-2/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine?
2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 55072484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).