2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol

C14H31NO3 — CID 143259400

IUPAC2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol
SMILESC/C=C(C=O)\C=C/CCC.CC.CO.NCCO
InChIInChI=1S/C9H14O.C2H7NO.C2H6.CH4O/c1-3-5-6-7-9(4-2)8-10;3-1-2-4;2*1-2/h4,6-8H,3,5H2,1-2H3;4H,1-3H2;1-2H3;2H,1H3/b7-6-,9-4+;;;
InChIKeyWWVYUAHJHUMKDF-ARVFIJNVSA-N
MW261.41 g/mol
LogP2.06
Rot. Bonds5

About 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol

2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol (PubChem CID 143259400) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol.

Molecular Properties

Compound Name2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol
PubChem CID143259400
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol
SMILESC/C=C(C=O)\C=C/CCC.CC.CO.NCCO
InChIInChI=1S/C9H14O.C2H7NO.C2H6.CH4O/c1-3-5-6-7-9(4-2)8-10;3-1-2-4;2*1-2/h4,6-8H,3,5H2,1-2H3;4H,1-3H2;1-2H3;2H,1H3/b7-6-,9-4+;;;
InChIKeyWWVYUAHJHUMKDF-ARVFIJNVSA-N
XLogP2.06
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol?
The IUPAC name of 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol (CID 143259400) is 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol.
What is the SMILES notation for 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol?
The canonical SMILES for 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol is C/C=C(C=O)\C=C/CCC.CC.CO.NCCO.
What is the InChIKey of 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol?
The InChIKey is WWVYUAHJHUMKDF-ARVFIJNVSA-N. The full InChI is InChI=1S/C9H14O.C2H7NO.C2H6.CH4O/c1-3-5-6-7-9(4-2)8-10;3-1-2-4;2*1-2/h4,6-8H,3,5H2,1-2H3;4H,1-3H2;1-2H3;2H,1H3/b7-6-,9-4+;;;.
What are the key properties of 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol?
2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol has a molecular weight of 261.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;ethane;(Z,2E)-2-ethylidenehept-3-enal;methanol is sourced from PubChem (CID 143259400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).