(3-methylocta-2,4,6-trienylideneamino)urea

C10H15N3O — CID 3312276

IUPAC(3-methylocta-2,4,6-trienylideneamino)urea
SMILESCC=CC=CC(C)=CC=NNC(N)=O
InChIInChI=1S/C10H15N3O/c1-3-4-5-6-9(2)7-8-12-13-10(11)14/h3-8H,1-2H3,(H3,11,13,14)
InChIKeyAJRMWWVTHFOWGT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.72
Rot. Bonds4

About (3-methylocta-2,4,6-trienylideneamino)urea

(3-methylocta-2,4,6-trienylideneamino)urea (PubChem CID 3312276) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (3-methylocta-2,4,6-trienylideneamino)urea.

Molecular Properties

Compound Name(3-methylocta-2,4,6-trienylideneamino)urea
PubChem CID3312276
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(3-methylocta-2,4,6-trienylideneamino)urea
SMILESCC=CC=CC(C)=CC=NNC(N)=O
InChIInChI=1S/C10H15N3O/c1-3-4-5-6-9(2)7-8-12-13-10(11)14/h3-8H,1-2H3,(H3,11,13,14)
InChIKeyAJRMWWVTHFOWGT-UHFFFAOYSA-N
XLogP1.72
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(Z)-but-2-enylidene]amino]urea
CID 92532250
[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
CID 50989810
3-methylocta-2,4,6-trienamide
CID 141023741
(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
[(E)-2-oxopropylideneamino]urea
CID 13238217
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331
(2E,6Z,8E)-deca-2,6,8-trienamide
CID 87690311
[[(E)-dec-2-enylidene]amino]urea
CID 165430179

Frequently Asked Questions

What is the IUPAC name of (3-methylocta-2,4,6-trienylideneamino)urea?
The IUPAC name of (3-methylocta-2,4,6-trienylideneamino)urea (CID 3312276) is (3-methylocta-2,4,6-trienylideneamino)urea.
What is the SMILES notation for (3-methylocta-2,4,6-trienylideneamino)urea?
The canonical SMILES for (3-methylocta-2,4,6-trienylideneamino)urea is CC=CC=CC(C)=CC=NNC(N)=O.
What is the InChIKey of (3-methylocta-2,4,6-trienylideneamino)urea?
The InChIKey is AJRMWWVTHFOWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-5-6-9(2)7-8-12-13-10(11)14/h3-8H,1-2H3,(H3,11,13,14).
What are the key properties of (3-methylocta-2,4,6-trienylideneamino)urea?
(3-methylocta-2,4,6-trienylideneamino)urea has a molecular weight of 193.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylocta-2,4,6-trienylideneamino)urea is sourced from PubChem (CID 3312276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).