2-amino-4-ethylhept-6-en-3-ol;ethane

C11H25NO — CID 156717409

IUPAC2-amino-4-ethylhept-6-en-3-ol;ethane
SMILESC=CCC(CC)C(O)C(C)N.CC
InChIInChI=1S/C9H19NO.C2H6/c1-4-6-8(5-2)9(11)7(3)10;1-2/h4,7-9,11H,1,5-6,10H2,2-3H3;1-2H3
InChIKeyUOJDQUQNHQICMD-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-4-ethylhept-6-en-3-ol;ethane

2-amino-4-ethylhept-6-en-3-ol;ethane (PubChem CID 156717409) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-amino-4-ethylhept-6-en-3-ol;ethane.

Molecular Properties

Compound Name2-amino-4-ethylhept-6-en-3-ol;ethane
PubChem CID156717409
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-amino-4-ethylhept-6-en-3-ol;ethane
SMILESC=CCC(CC)C(O)C(C)N.CC
InChIInChI=1S/C9H19NO.C2H6/c1-4-6-8(5-2)9(11)7(3)10;1-2/h4,7-9,11H,1,5-6,10H2,2-3H3;1-2H3
InChIKeyUOJDQUQNHQICMD-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethylhept-6-en-3-ol;ethane?
The IUPAC name of 2-amino-4-ethylhept-6-en-3-ol;ethane (CID 156717409) is 2-amino-4-ethylhept-6-en-3-ol;ethane.
What is the SMILES notation for 2-amino-4-ethylhept-6-en-3-ol;ethane?
The canonical SMILES for 2-amino-4-ethylhept-6-en-3-ol;ethane is C=CCC(CC)C(O)C(C)N.CC.
What is the InChIKey of 2-amino-4-ethylhept-6-en-3-ol;ethane?
The InChIKey is UOJDQUQNHQICMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-4-6-8(5-2)9(11)7(3)10;1-2/h4,7-9,11H,1,5-6,10H2,2-3H3;1-2H3.
What are the key properties of 2-amino-4-ethylhept-6-en-3-ol;ethane?
2-amino-4-ethylhept-6-en-3-ol;ethane has a molecular weight of 187.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethylhept-6-en-3-ol;ethane is sourced from PubChem (CID 156717409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).