(E)-5-amino-3-methyloct-4-en-2-ol

C9H19NO — CID 170052335

IUPAC(E)-5-amino-3-methyloct-4-en-2-ol
SMILESCCC/C(N)=C\C(C)C(C)O
InChIInChI=1S/C9H19NO/c1-4-5-9(10)6-7(2)8(3)11/h6-8,11H,4-5,10H2,1-3H3/b9-6+
InChIKeyQNTKMUYUFZTBJC-RMKNXTFCSA-N
MW157.26 g/mol
LogP1.65
Rot. Bonds4

About (E)-5-amino-3-methyloct-4-en-2-ol

(E)-5-amino-3-methyloct-4-en-2-ol (PubChem CID 170052335) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-5-amino-3-methyloct-4-en-2-ol.

Molecular Properties

Compound Name(E)-5-amino-3-methyloct-4-en-2-ol
PubChem CID170052335
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-5-amino-3-methyloct-4-en-2-ol
SMILESCCC/C(N)=C\C(C)C(C)O
InChIInChI=1S/C9H19NO/c1-4-5-9(10)6-7(2)8(3)11/h6-8,11H,4-5,10H2,1-3H3/b9-6+
InChIKeyQNTKMUYUFZTBJC-RMKNXTFCSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-3-methyloct-4-en-2-ol?
The IUPAC name of (E)-5-amino-3-methyloct-4-en-2-ol (CID 170052335) is (E)-5-amino-3-methyloct-4-en-2-ol.
What is the SMILES notation for (E)-5-amino-3-methyloct-4-en-2-ol?
The canonical SMILES for (E)-5-amino-3-methyloct-4-en-2-ol is CCC/C(N)=C\C(C)C(C)O.
What is the InChIKey of (E)-5-amino-3-methyloct-4-en-2-ol?
The InChIKey is QNTKMUYUFZTBJC-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-9(10)6-7(2)8(3)11/h6-8,11H,4-5,10H2,1-3H3/b9-6+.
What are the key properties of (E)-5-amino-3-methyloct-4-en-2-ol?
(E)-5-amino-3-methyloct-4-en-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-3-methyloct-4-en-2-ol is sourced from PubChem (CID 170052335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).