(Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol

C13H25NO — CID 145332816

IUPAC(Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol
SMILESC/C=C(/C)C(O)(CCCCN)/C(C)=C/C
InChIInChI=1S/C13H25NO/c1-5-11(3)13(15,12(4)6-2)9-7-8-10-14/h5-6,15H,7-10,14H2,1-4H3/b11-5-,12-6+
InChIKeyISWATJXDTVMEJL-JTAXDKCCSA-N
MW211.35 g/mol
LogP2.78
Rot. Bonds6

About (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol

(Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol (PubChem CID 145332816) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol.

Molecular Properties

Compound Name(Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol
PubChem CID145332816
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol
SMILESC/C=C(/C)C(O)(CCCCN)/C(C)=C/C
InChIInChI=1S/C13H25NO/c1-5-11(3)13(15,12(4)6-2)9-7-8-10-14/h5-6,15H,7-10,14H2,1-4H3/b11-5-,12-6+
InChIKeyISWATJXDTVMEJL-JTAXDKCCSA-N
XLogP2.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol?
The IUPAC name of (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol (CID 145332816) is (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol.
What is the SMILES notation for (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol?
The canonical SMILES for (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol is C/C=C(/C)C(O)(CCCCN)/C(C)=C/C.
What is the InChIKey of (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol?
The InChIKey is ISWATJXDTVMEJL-JTAXDKCCSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-11(3)13(15,12(4)6-2)9-7-8-10-14/h5-6,15H,7-10,14H2,1-4H3/b11-5-,12-6+.
What are the key properties of (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol?
(Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-amino-4-[(E)-but-2-en-2-yl]-3-methyloct-2-en-4-ol is sourced from PubChem (CID 145332816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).