(3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol

C11H19NO2 — CID 88953843

IUPAC(3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol
SMILESC=C(O)/C=C(\C)CCNC(=C)COC
InChIInChI=1S/C11H19NO2/c1-9(7-11(3)13)5-6-12-10(2)8-14-4/h7,12-13H,2-3,5-6,8H2,1,4H3/b9-7+
InChIKeyWHCVWHZETHGEKZ-VQHVLOKHSA-N
MW197.28 g/mol
LogP2.14
Rot. Bonds7

About (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol

(3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol (PubChem CID 88953843) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol
PubChem CID88953843
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol
SMILESC=C(O)/C=C(\C)CCNC(=C)COC
InChIInChI=1S/C11H19NO2/c1-9(7-11(3)13)5-6-12-10(2)8-14-4/h7,12-13H,2-3,5-6,8H2,1,4H3/b9-7+
InChIKeyWHCVWHZETHGEKZ-VQHVLOKHSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[4-Methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 67602541
2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol
CID 138456920
6-(Methoxymethyl)-3,4-dimethyl-1,2-dihydropyridine
CID 142126481
[[(3E)-5-[2-(diethylamino)ethoxy]hexa-3,5-dien-3-yl]amino]methanol
CID 145166628
ethane;(3E)-N-ethyl-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 164573779
(2E,4E)-N-ethyl-1,4-dimethoxyhepta-2,4-dien-2-amine
CID 142954564
(3E)-N-ethyl-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 164573780

Frequently Asked Questions

What is the IUPAC name of (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol?
The IUPAC name of (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol (CID 88953843) is (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol.
What is the SMILES notation for (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol?
The canonical SMILES for (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol is C=C(O)/C=C(\C)CCNC(=C)COC.
What is the InChIKey of (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol?
The InChIKey is WHCVWHZETHGEKZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(7-11(3)13)5-6-12-10(2)8-14-4/h7,12-13H,2-3,5-6,8H2,1,4H3/b9-7+.
What are the key properties of (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol?
(3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol has a molecular weight of 197.28 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-(3-methoxyprop-1-en-2-ylamino)-4-methylhexa-1,3-dien-2-ol is sourced from PubChem (CID 88953843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).