N,N'-dicyclohexylmethanediimine;formamide

C14H25N3O — CID 175243938

IUPACN,N'-dicyclohexylmethanediimine;formamide
SMILESC(=NC1CCCCC1)=NC1CCCCC1.NC=O
InChIInChI=1S/C13H22N2.CH3NO/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3/h12-13H,1-10H2;1H,(H2,2,3)
InChIKeyBPQXHSKINKYDCB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.93
Rot. Bonds2

About N,N'-dicyclohexylmethanediimine;formamide

N,N'-dicyclohexylmethanediimine;formamide (PubChem CID 175243938) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;formamide.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;formamide
PubChem CID175243938
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,N'-dicyclohexylmethanediimine;formamide
SMILESC(=NC1CCCCC1)=NC1CCCCC1.NC=O
InChIInChI=1S/C13H22N2.CH3NO/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3/h12-13H,1-10H2;1H,(H2,2,3)
InChIKeyBPQXHSKINKYDCB-UHFFFAOYSA-N
XLogP2.93
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmethanediimine;formamide?
The IUPAC name of N,N'-dicyclohexylmethanediimine;formamide (CID 175243938) is N,N'-dicyclohexylmethanediimine;formamide.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;formamide?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;formamide is C(=NC1CCCCC1)=NC1CCCCC1.NC=O.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;formamide?
The InChIKey is BPQXHSKINKYDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.CH3NO/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3/h12-13H,1-10H2;1H,(H2,2,3).
What are the key properties of N,N'-dicyclohexylmethanediimine;formamide?
N,N'-dicyclohexylmethanediimine;formamide has a molecular weight of 251.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;formamide is sourced from PubChem (CID 175243938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).