[(4-butylcyclohexylidene)amino]urea

C11H21N3O — CID 165349079

IUPAC[(4-butylcyclohexylidene)amino]urea
SMILESCCCCC1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C11H21N3O/c1-2-3-4-9-5-7-10(8-6-9)13-14-11(12)15/h9H,2-8H2,1H3,(H3,12,14,15)/b13-10-
InChIKeyLMZPQUCNZWDWNC-RAXLEYEMSA-N
MW211.31 g/mol
LogP2.39
Rot. Bonds4

About [(4-butylcyclohexylidene)amino]urea

[(4-butylcyclohexylidene)amino]urea (PubChem CID 165349079) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(4-butylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(4-butylcyclohexylidene)amino]urea
PubChem CID165349079
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(4-butylcyclohexylidene)amino]urea
SMILESCCCCC1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C11H21N3O/c1-2-3-4-9-5-7-10(8-6-9)13-14-11(12)15/h9H,2-8H2,1H3,(H3,12,14,15)/b13-10-
InChIKeyLMZPQUCNZWDWNC-RAXLEYEMSA-N
XLogP2.39
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.39
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'}

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Related Compounds

N,N'-bis[(4-propylcyclohexylidene)amino]oxamide
CID 3378512
N-[(4-propylcyclohexylidene)amino]undecanamide
CID 4226269
[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea
CID 7412207
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
CID 98548381
[(E)-(2-propylcyclohexylidene)amino]urea
CID 5385427
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-[(4-propylcyclohexylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556237
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
CID 3680636
4-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 5062315
4-decylcyclohexan-1-one
CID 13479948

Frequently Asked Questions

What is the IUPAC name of [(4-butylcyclohexylidene)amino]urea?
The IUPAC name of [(4-butylcyclohexylidene)amino]urea (CID 165349079) is [(4-butylcyclohexylidene)amino]urea.
What is the SMILES notation for [(4-butylcyclohexylidene)amino]urea?
The canonical SMILES for [(4-butylcyclohexylidene)amino]urea is CCCCC1CCC(=NNC(N)=O)CC1.
What is the InChIKey of [(4-butylcyclohexylidene)amino]urea?
The InChIKey is LMZPQUCNZWDWNC-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-4-9-5-7-10(8-6-9)13-14-11(12)15/h9H,2-8H2,1H3,(H3,12,14,15)/b13-10-.
What are the key properties of [(4-butylcyclohexylidene)amino]urea?
[(4-butylcyclohexylidene)amino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butylcyclohexylidene)amino]urea is sourced from PubChem (CID 165349079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).