N,N'-dicyclohexylmethanediimine;urea

C14H26N4O — CID 86734857

IUPACN,N'-dicyclohexylmethanediimine;urea
SMILESC(=NC1CCCCC1)=NC1CCCCC1.NC(N)=O
InChIInChI=1S/C13H22N2.CH4N2O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1(3)4/h12-13H,1-10H2;(H4,2,3,4)
InChIKeyRKLYEKUBLQQQAL-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.85
Rot. Bonds2

About N,N'-dicyclohexylmethanediimine;urea

N,N'-dicyclohexylmethanediimine;urea (PubChem CID 86734857) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;urea.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;urea
PubChem CID86734857
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN,N'-dicyclohexylmethanediimine;urea
SMILESC(=NC1CCCCC1)=NC1CCCCC1.NC(N)=O
InChIInChI=1S/C13H22N2.CH4N2O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1(3)4/h12-13H,1-10H2;(H4,2,3,4)
InChIKeyRKLYEKUBLQQQAL-UHFFFAOYSA-N
XLogP2.85
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmethanediimine;urea?
The IUPAC name of N,N'-dicyclohexylmethanediimine;urea (CID 86734857) is N,N'-dicyclohexylmethanediimine;urea.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;urea?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;urea is C(=NC1CCCCC1)=NC1CCCCC1.NC(N)=O.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;urea?
The InChIKey is RKLYEKUBLQQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.CH4N2O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1(3)4/h12-13H,1-10H2;(H4,2,3,4).
What are the key properties of N,N'-dicyclohexylmethanediimine;urea?
N,N'-dicyclohexylmethanediimine;urea has a molecular weight of 266.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;urea is sourced from PubChem (CID 86734857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).