(3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane

C11H21NO — CID 162724478

IUPAC(3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane
SMILESC=C/C=C(/O)C(=C)C(C)(C)N.CC
InChIInChI=1S/C9H15NO.C2H6/c1-5-6-8(11)7(2)9(3,4)10;1-2/h5-6,11H,1-2,10H2,3-4H3;1-2H3/b8-6+;
InChIKeyARXGMEQRTJKIKE-WVLIHFOGSA-N
MW183.29 g/mol
LogP2.93
Rot. Bonds3

About (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane

(3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane (PubChem CID 162724478) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane.

Molecular Properties

Compound Name(3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane
PubChem CID162724478
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane
SMILESC=C/C=C(/O)C(=C)C(C)(C)N.CC
InChIInChI=1S/C9H15NO.C2H6/c1-5-6-8(11)7(2)9(3,4)10;1-2/h5-6,11H,1-2,10H2,3-4H3;1-2H3/b8-6+;
InChIKeyARXGMEQRTJKIKE-WVLIHFOGSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.93
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'}

Analyze (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane?
The IUPAC name of (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane (CID 162724478) is (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane.
What is the SMILES notation for (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane?
The canonical SMILES for (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane is C=C/C=C(/O)C(=C)C(C)(C)N.CC.
What is the InChIKey of (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane?
The InChIKey is ARXGMEQRTJKIKE-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-5-6-8(11)7(2)9(3,4)10;1-2/h5-6,11H,1-2,10H2,3-4H3;1-2H3/b8-6+;.
What are the key properties of (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane?
(3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane has a molecular weight of 183.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-amino-6-methyl-5-methylidenehepta-1,3-dien-4-ol;ethane is sourced from PubChem (CID 162724478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).