(2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol

C15H27NO — CID 129017386

IUPAC(2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(/C=C(C(\O)=C(/C)N)/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27NO/c1-10(14(3,4)5)9-12(15(6,7)8)13(17)11(2)16/h9,17H,1,16H2,2-8H3/b12-9+,13-11-
InChIKeyMEYYSWQNOAWPRC-NYGJOUKGSA-N
MW237.39 g/mol
LogP4.31
Rot. Bonds2

About (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol

(2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol (PubChem CID 129017386) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol
PubChem CID129017386
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(/C=C(C(\O)=C(/C)N)/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27NO/c1-10(14(3,4)5)9-12(15(6,7)8)13(17)11(2)16/h9,17H,1,16H2,2-8H3/b12-9+,13-11-
InChIKeyMEYYSWQNOAWPRC-NYGJOUKGSA-N
XLogP4.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.31
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 (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol 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 (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol?
The IUPAC name of (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol (CID 129017386) is (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol.
What is the SMILES notation for (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol?
The canonical SMILES for (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol is C=C(/C=C(C(\O)=C(/C)N)/C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol?
The InChIKey is MEYYSWQNOAWPRC-NYGJOUKGSA-N. The full InChI is InChI=1S/C15H27NO/c1-10(14(3,4)5)9-12(15(6,7)8)13(17)11(2)16/h9,17H,1,16H2,2-8H3/b12-9+,13-11-.
What are the key properties of (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol?
(2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol has a molecular weight of 237.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-amino-4-tert-butyl-7,7-dimethyl-6-methylideneocta-2,4-dien-3-ol is sourced from PubChem (CID 129017386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).