(2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol

C7H13NO — CID 88992526

IUPAC(2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol
SMILESC/C=C(C)\C=C(\O)CN
InChIInChI=1S/C7H13NO/c1-3-6(2)4-7(9)5-8/h3-4,9H,5,8H2,1-2H3/b6-3-,7-4+
InChIKeyLVZPAHNRTVVLAM-UCZKPGLMSA-N
MW127.19 g/mol
LogP1.35
Rot. Bonds2

About (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol

(2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol (PubChem CID 88992526) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol
PubChem CID88992526
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol
SMILESC/C=C(C)\C=C(\O)CN
InChIInChI=1S/C7H13NO/c1-3-6(2)4-7(9)5-8/h3-4,9H,5,8H2,1-2H3/b6-3-,7-4+
InChIKeyLVZPAHNRTVVLAM-UCZKPGLMSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.35
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 (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol?
The IUPAC name of (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol (CID 88992526) is (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol is C/C=C(C)\C=C(\O)CN.
What is the InChIKey of (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol?
The InChIKey is LVZPAHNRTVVLAM-UCZKPGLMSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6(2)4-7(9)5-8/h3-4,9H,5,8H2,1-2H3/b6-3-,7-4+.
What are the key properties of (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol?
(2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol is sourced from PubChem (CID 88992526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).