(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol

C8H13NO — CID 89088346

IUPAC(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
SMILESC=C/C(=C\C(=C)CO)NC
InChIInChI=1S/C8H13NO/c1-4-8(9-3)5-7(2)6-10/h4-5,9-10H,1-2,6H2,3H3/b8-5+
InChIKeyZCHMRHJVGRMOJN-VMPITWQZSA-N
MW139.20 g/mol
LogP0.82
Rot. Bonds4

About (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol

(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol (PubChem CID 89088346) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
PubChem CID89088346
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
SMILESC=C/C(=C\C(=C)CO)NC
InChIInChI=1S/C8H13NO/c1-4-8(9-3)5-7(2)6-10/h4-5,9-10H,1-2,6H2,3H3/b8-5+
InChIKeyZCHMRHJVGRMOJN-VMPITWQZSA-N
XLogP0.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol?
The IUPAC name of (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol (CID 89088346) is (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol.
What is the SMILES notation for (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol?
The canonical SMILES for (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol is C=C/C(=C\C(=C)CO)NC.
What is the InChIKey of (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol?
The InChIKey is ZCHMRHJVGRMOJN-VMPITWQZSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-8(9-3)5-7(2)6-10/h4-5,9-10H,1-2,6H2,3H3/b8-5+.
What are the key properties of (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol?
(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol is sourced from PubChem (CID 89088346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).