ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine

C15H32N2O — CID 153390428

IUPACethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CC1CN(CC)CCO1.CC
InChIInChI=1S/C13H26N2O.C2H6/c1-6-15-7-8-16-13(10-15)9-14(5)12(4)11(2)3;1-2/h11,13H,4,6-10H2,1-3,5H3;1-2H3
InChIKeyPDEJCPVKJYTKQE-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.83
Rot. Bonds5

About ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine

ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine (PubChem CID 153390428) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine
PubChem CID153390428
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Nameethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CC1CN(CC)CCO1.CC
InChIInChI=1S/C13H26N2O.C2H6/c1-6-15-7-8-16-13(10-15)9-14(5)12(4)11(2)3;1-2/h11,13H,4,6-10H2,1-3,5H3;1-2H3
InChIKeyPDEJCPVKJYTKQE-UHFFFAOYSA-N
XLogP2.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine?
The IUPAC name of ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine (CID 153390428) is ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine?
The canonical SMILES for ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine is C=C(C(C)C)N(C)CC1CN(CC)CCO1.CC.
What is the InChIKey of ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine?
The InChIKey is PDEJCPVKJYTKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-6-15-7-8-16-13(10-15)9-14(5)12(4)11(2)3;1-2/h11,13H,4,6-10H2,1-3,5H3;1-2H3.
What are the key properties of ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine?
ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 153390428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).