3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol

C14H23NO — CID 123343829

IUPAC3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol
SMILESC=CC=C(C)C(O)CNCCC(=C)C=CC
InChIInChI=1S/C14H23NO/c1-5-7-12(3)9-10-15-11-14(16)13(4)8-6-2/h5-8,14-16H,2-3,9-11H2,1,4H3
InChIKeyYRQWNFFULYLSDK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.59
Rot. Bonds8

About 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol

3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol (PubChem CID 123343829) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol
PubChem CID123343829
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol
SMILESC=CC=C(C)C(O)CNCCC(=C)C=CC
InChIInChI=1S/C14H23NO/c1-5-7-12(3)9-10-15-11-14(16)13(4)8-6-2/h5-8,14-16H,2-3,9-11H2,1,4H3
InChIKeyYRQWNFFULYLSDK-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol
CID 134224683
2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol
CID 142176480
2-(Butylamino)-1-(2-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 169245451
(1R)-2-(tert-butylamino)-1-(2,3-difluorocyclohexa-1,5-dien-1-yl)ethanol
CID 170317612
(3E,5E)-1-(tert-butylamino)-3-ethenyl-5-fluorohepta-3,5-dien-2-ol
CID 172235407
(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 10997149
3,4-Dihydroxy-Adrenalin
CID 129630452
1-(Cyclopenta-1,3-dien-1-ylmethylamino)propan-2-ol
CID 15258902
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol
CID 20196370
1-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)ethanol
CID 20467338
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 53704283
(2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 54097564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol?
The IUPAC name of 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol (CID 123343829) is 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol.
What is the SMILES notation for 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol?
The canonical SMILES for 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol is C=CC=C(C)C(O)CNCCC(=C)C=CC.
What is the InChIKey of 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol?
The InChIKey is YRQWNFFULYLSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-12(3)9-10-15-11-14(16)13(4)8-6-2/h5-8,14-16H,2-3,9-11H2,1,4H3.
What are the key properties of 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol?
3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylidenehex-4-enylamino)hexa-3,5-dien-2-ol is sourced from PubChem (CID 123343829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).