(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol

C10H17NO — CID 144914787

IUPAC(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(CC)/C(N)=C\C(O)=C(C)C
InChIInChI=1S/C10H17NO/c1-5-8(4)9(11)6-10(12)7(2)3/h6,12H,4-5,11H2,1-3H3/b9-6+
InChIKeyUZSNOJOXOJDHFV-RMKNXTFCSA-N
MW167.25 g/mol
LogP2.65
Rot. Bonds3

About (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol

(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol (PubChem CID 144914787) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol.

Molecular Properties

Compound Name(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol
PubChem CID144914787
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(CC)/C(N)=C\C(O)=C(C)C
InChIInChI=1S/C10H17NO/c1-5-8(4)9(11)6-10(12)7(2)3/h6,12H,4-5,11H2,1-3H3/b9-6+
InChIKeyUZSNOJOXOJDHFV-RMKNXTFCSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol?
The IUPAC name of (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol (CID 144914787) is (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol.
What is the SMILES notation for (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol?
The canonical SMILES for (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol is C=C(CC)/C(N)=C\C(O)=C(C)C.
What is the InChIKey of (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol?
The InChIKey is UZSNOJOXOJDHFV-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-8(4)9(11)6-10(12)7(2)3/h6,12H,4-5,11H2,1-3H3/b9-6+.
What are the key properties of (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol?
(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol has a molecular weight of 167.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol is sourced from PubChem (CID 144914787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).