(3-methylideneocta-4,6-dien-2-ylamino)methanol

C10H17NO — CID 123793937

IUPAC(3-methylideneocta-4,6-dien-2-ylamino)methanol
SMILESC=C(C=CC=CC)C(C)NCO
InChIInChI=1S/C10H17NO/c1-4-5-6-7-9(2)10(3)11-8-12/h4-7,10-12H,2,8H2,1,3H3
InChIKeyRRCVHMDVCSTRLG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.60
Rot. Bonds5

About (3-methylideneocta-4,6-dien-2-ylamino)methanol

(3-methylideneocta-4,6-dien-2-ylamino)methanol (PubChem CID 123793937) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3-methylideneocta-4,6-dien-2-ylamino)methanol.

Molecular Properties

Compound Name(3-methylideneocta-4,6-dien-2-ylamino)methanol
PubChem CID123793937
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3-methylideneocta-4,6-dien-2-ylamino)methanol
SMILESC=C(C=CC=CC)C(C)NCO
InChIInChI=1S/C10H17NO/c1-4-5-6-7-9(2)10(3)11-8-12/h4-7,10-12H,2,8H2,1,3H3
InChIKeyRRCVHMDVCSTRLG-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[1-(4-Methylidenecyclohexa-1,5-dien-1-yl)propan-2-ylamino]methanediol
CID 118947068
[[(Z,2E)-2-[(E)-3-fluoroprop-2-enylidene]hex-3-enyl]amino]methanol
CID 144509395
[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol
CID 20609703
(Z)-1-(ethylamino)-4-[6-(methylamino)cyclohexa-1,3-dien-1-yl]but-3-en-1-ol
CID 70914779
(2,6-Dimethylhepta-2,6-dienylamino)methanol
CID 73685398
(3E,4Z)-3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine
CID 88243694
2-[(3-Methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 88992217
[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
CID 89153849
1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol
CID 89256469
1-[(1,4-Dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol
CID 91503472
[[1-(4-Methylhexa-1,4-dienyl)cyclopropyl]amino]methanol
CID 123548852
3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine
CID 123757982

Frequently Asked Questions

What is the IUPAC name of (3-methylideneocta-4,6-dien-2-ylamino)methanol?
The IUPAC name of (3-methylideneocta-4,6-dien-2-ylamino)methanol (CID 123793937) is (3-methylideneocta-4,6-dien-2-ylamino)methanol.
What is the SMILES notation for (3-methylideneocta-4,6-dien-2-ylamino)methanol?
The canonical SMILES for (3-methylideneocta-4,6-dien-2-ylamino)methanol is C=C(C=CC=CC)C(C)NCO.
What is the InChIKey of (3-methylideneocta-4,6-dien-2-ylamino)methanol?
The InChIKey is RRCVHMDVCSTRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-9(2)10(3)11-8-12/h4-7,10-12H,2,8H2,1,3H3.
What are the key properties of (3-methylideneocta-4,6-dien-2-ylamino)methanol?
(3-methylideneocta-4,6-dien-2-ylamino)methanol has a molecular weight of 167.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylideneocta-4,6-dien-2-ylamino)methanol is sourced from PubChem (CID 123793937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).