ethane;2-(ethylamino)prop-2-en-1-ol

C7H17NO — CID 162360559

IUPACethane;2-(ethylamino)prop-2-en-1-ol
SMILESC=C(CO)NCC.CC
InChIInChI=1S/C5H11NO.C2H6/c1-3-6-5(2)4-7;1-2/h6-7H,2-4H2,1H3;1-2H3
InChIKeyYSELIBNRZQSUIR-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.13
Rot. Bonds3

About ethane;2-(ethylamino)prop-2-en-1-ol

ethane;2-(ethylamino)prop-2-en-1-ol (PubChem CID 162360559) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is ethane;2-(ethylamino)prop-2-en-1-ol.

Molecular Properties

Compound Nameethane;2-(ethylamino)prop-2-en-1-ol
PubChem CID162360559
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Nameethane;2-(ethylamino)prop-2-en-1-ol
SMILESC=C(CO)NCC.CC
InChIInChI=1S/C5H11NO.C2H6/c1-3-6-5(2)4-7;1-2/h6-7H,2-4H2,1H3;1-2H3
InChIKeyYSELIBNRZQSUIR-UHFFFAOYSA-N
XLogP1.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethylamino)prop-2-en-1-ol?
The IUPAC name of ethane;2-(ethylamino)prop-2-en-1-ol (CID 162360559) is ethane;2-(ethylamino)prop-2-en-1-ol.
What is the SMILES notation for ethane;2-(ethylamino)prop-2-en-1-ol?
The canonical SMILES for ethane;2-(ethylamino)prop-2-en-1-ol is C=C(CO)NCC.CC.
What is the InChIKey of ethane;2-(ethylamino)prop-2-en-1-ol?
The InChIKey is YSELIBNRZQSUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c1-3-6-5(2)4-7;1-2/h6-7H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-(ethylamino)prop-2-en-1-ol?
ethane;2-(ethylamino)prop-2-en-1-ol has a molecular weight of 131.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylamino)prop-2-en-1-ol is sourced from PubChem (CID 162360559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).