(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol

C8H15NO — CID 143051945

IUPAC(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol
SMILESC=C(N)/C=C(\O)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-6(9)5-7(10)8(2,3)4/h5,10H,1,9H2,2-4H3/b7-5-
InChIKeyJHYDGZADHDVQIL-ALCCZGGFSA-N
MW141.21 g/mol
LogP1.95
Rot. Bonds1

About (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol

(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol (PubChem CID 143051945) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol
PubChem CID143051945
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol
SMILESC=C(N)/C=C(\O)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-6(9)5-7(10)8(2,3)4/h5,10H,1,9H2,2-4H3/b7-5-
InChIKeyJHYDGZADHDVQIL-ALCCZGGFSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.95
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 (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol?
The IUPAC name of (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol (CID 143051945) is (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol.
What is the SMILES notation for (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol?
The canonical SMILES for (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol is C=C(N)/C=C(\O)C(C)(C)C.
What is the InChIKey of (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol?
The InChIKey is JHYDGZADHDVQIL-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(9)5-7(10)8(2,3)4/h5,10H,1,9H2,2-4H3/b7-5-.
What are the key properties of (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol?
(3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol has a molecular weight of 141.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-amino-2,2-dimethylhexa-3,5-dien-3-ol is sourced from PubChem (CID 143051945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).