(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine

C8H20N2O — CID 103934538

IUPAC(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCCN(CCOC)C[C@H](C)N
InChIInChI=1S/C8H20N2O/c1-4-10(5-6-11-3)7-8(2)9/h8H,4-7,9H2,1-3H3/t8-/m0/s1
InChIKeyBKDWMZVVMLRYOP-QMMMGPOBSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds6

About (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine

(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine (PubChem CID 103934538) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
PubChem CID103934538
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCCN(CCOC)C[C@H](C)N
InChIInChI=1S/C8H20N2O/c1-4-10(5-6-11-3)7-8(2)9/h8H,4-7,9H2,1-3H3/t8-/m0/s1
InChIKeyBKDWMZVVMLRYOP-QMMMGPOBSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
CID 61447801
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
CID 137346902
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 107473280
N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 81099300
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine (CID 103934538) is (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine is CCN(CCOC)C[C@H](C)N.
What is the InChIKey of (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine?
The InChIKey is BKDWMZVVMLRYOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-10(5-6-11-3)7-8(2)9/h8H,4-7,9H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine?
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine is sourced from PubChem (CID 103934538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).