(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol

C9H17NO — CID 143962760

IUPAC(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol
SMILESC=C(/C(N)=C(\C)O)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6(9(3,4)5)8(10)7(2)11/h11H,1,10H2,2-5H3/b8-7-
InChIKeyMPACKFHWAONHFL-FPLPWBNLSA-N
MW155.24 g/mol
LogP2.34
Rot. Bonds1

About (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol

(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol (PubChem CID 143962760) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol.

Molecular Properties

Compound Name(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol
PubChem CID143962760
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol
SMILESC=C(/C(N)=C(\C)O)C(C)(C)C
InChIInChI=1S/C9H17NO/c1-6(9(3,4)5)8(10)7(2)11/h11H,1,10H2,2-5H3/b8-7-
InChIKeyMPACKFHWAONHFL-FPLPWBNLSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.34
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 (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol?
The IUPAC name of (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol (CID 143962760) is (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol.
What is the SMILES notation for (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol?
The canonical SMILES for (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol is C=C(/C(N)=C(\C)O)C(C)(C)C.
What is the InChIKey of (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol?
The InChIKey is MPACKFHWAONHFL-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(9(3,4)5)8(10)7(2)11/h11H,1,10H2,2-5H3/b8-7-.
What are the key properties of (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol?
(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol has a molecular weight of 155.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol is sourced from PubChem (CID 143962760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).