[(E)-decan-4-ylideneamino]urea

C11H23N3O — CID 121216482

IUPAC[(E)-decan-4-ylideneamino]urea
SMILESCCCCCC/C(CCC)=N/NC(N)=O
InChIInChI=1S/C11H23N3O/c1-3-5-6-7-9-10(8-4-2)13-14-11(12)15/h3-9H2,1-2H3,(H3,12,14,15)/b13-10+
InChIKeySTVBVQMATHBCHZ-JLHYYAGUSA-N
MW213.32 g/mol
LogP2.78
Rot. Bonds8

About [(E)-decan-4-ylideneamino]urea

[(E)-decan-4-ylideneamino]urea (PubChem CID 121216482) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is [(E)-decan-4-ylideneamino]urea.

Molecular Properties

Compound Name[(E)-decan-4-ylideneamino]urea
PubChem CID121216482
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name[(E)-decan-4-ylideneamino]urea
SMILESCCCCCC/C(CCC)=N/NC(N)=O
InChIInChI=1S/C11H23N3O/c1-3-5-6-7-9-10(8-4-2)13-14-11(12)15/h3-9H2,1-2H3,(H3,12,14,15)/b13-10+
InChIKeySTVBVQMATHBCHZ-JLHYYAGUSA-N
XLogP2.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(nonadec-10-en-2-ylideneamino)urea
CID 71326598
N,N'-bis(heptan-4-ylideneamino)oxamide
CID 3704991
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
tert-butyl N-(heptadecan-9-ylideneamino)carbamate
CID 169107611
[(E)-1-chlorobutan-2-ylideneamino]urea
CID 55303693
(1-chlorononan-4-ylideneamino)thiourea
CID 173180173
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
dodecanamide;N-methylmethanamine
CID 159337435
N-hydroxytridecanamide
CID 14122613
nonan-4-ylidenehydrazine
CID 140571520

Frequently Asked Questions

What is the IUPAC name of [(E)-decan-4-ylideneamino]urea?
The IUPAC name of [(E)-decan-4-ylideneamino]urea (CID 121216482) is [(E)-decan-4-ylideneamino]urea.
What is the SMILES notation for [(E)-decan-4-ylideneamino]urea?
The canonical SMILES for [(E)-decan-4-ylideneamino]urea is CCCCCC/C(CCC)=N/NC(N)=O.
What is the InChIKey of [(E)-decan-4-ylideneamino]urea?
The InChIKey is STVBVQMATHBCHZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-5-6-7-9-10(8-4-2)13-14-11(12)15/h3-9H2,1-2H3,(H3,12,14,15)/b13-10+.
What are the key properties of [(E)-decan-4-ylideneamino]urea?
[(E)-decan-4-ylideneamino]urea has a molecular weight of 213.32 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-decan-4-ylideneamino]urea is sourced from PubChem (CID 121216482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).