ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine

C12H27NO — CID 177327496

IUPACethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCC(C)OCC.CC
InChIInChI=1S/C10H21NO.C2H6/c1-6-12-10(4)7-8-11(5)9(2)3;1-2/h10H,2,6-8H2,1,3-5H3;1-2H3
InChIKeyLTBNMIQXJOUGLH-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.29
Rot. Bonds6

About ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine

ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 177327496) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Nameethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID177327496
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCC(C)OCC.CC
InChIInChI=1S/C10H21NO.C2H6/c1-6-12-10(4)7-8-11(5)9(2)3;1-2/h10H,2,6-8H2,1,3-5H3;1-2H3
InChIKeyLTBNMIQXJOUGLH-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 177327496) is ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(C)CCC(C)OCC.CC.
What is the InChIKey of ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is LTBNMIQXJOUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-6-12-10(4)7-8-11(5)9(2)3;1-2/h10H,2,6-8H2,1,3-5H3;1-2H3.
What are the key properties of ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine?
ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-N-methyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 177327496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).