(2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine

C11H24N2O — CID 138599680

IUPAC(2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine
SMILESC=CN(C)[C@@H](C)[C@@H](COCC)NCC
InChIInChI=1S/C11H24N2O/c1-6-12-11(9-14-8-3)10(4)13(5)7-2/h7,10-12H,2,6,8-9H2,1,3-5H3/t10-,11+/m0/s1
InChIKeyHGWNBOMRVVUBRV-WDEREUQCSA-N
MW200.33 g/mol
LogP1.46
Rot. Bonds8

About (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine

(2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine (PubChem CID 138599680) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine.

Molecular Properties

Compound Name(2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine
PubChem CID138599680
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine
SMILESC=CN(C)[C@@H](C)[C@@H](COCC)NCC
InChIInChI=1S/C11H24N2O/c1-6-12-11(9-14-8-3)10(4)13(5)7-2/h7,10-12H,2,6,8-9H2,1,3-5H3/t10-,11+/m0/s1
InChIKeyHGWNBOMRVVUBRV-WDEREUQCSA-N
XLogP1.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethenyl-3-ethoxy-N-methylbutan-2-amine
CID 143938330
1-(1-ethoxypropan-2-yloxy)-N-ethyl-3-methylpentan-2-amine
CID 103487691
4-ethoxy-3-(ethoxymethyl)but-1-ene
CID 23573612
(1-ethoxy-3-methylbutan-2-yl)hydrazine
CID 105199529
1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943
methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
CID 103489799
1-ethoxy-N-ethylnon-8-en-2-amine
CID 107009273
1-ethoxypropan-2-ylphosphane
CID 89068231
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
CID 103271170
1-ethoxy-N,5-diethylheptan-4-amine
CID 105168474
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine?
The IUPAC name of (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine (CID 138599680) is (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine.
What is the SMILES notation for (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine?
The canonical SMILES for (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine is C=CN(C)[C@@H](C)[C@@H](COCC)NCC.
What is the InChIKey of (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine?
The InChIKey is HGWNBOMRVVUBRV-WDEREUQCSA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-12-11(9-14-8-3)10(4)13(5)7-2/h7,10-12H,2,6,8-9H2,1,3-5H3/t10-,11+/m0/s1.
What are the key properties of (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine?
(2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine is sourced from PubChem (CID 138599680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).