N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane

C22H38N4 — CID 143275856

IUPACN,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CC.CN(C)c1ccncc1
InChIInChI=1S/C13H22N2.C7H10N2.C2H6/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-9(2)7-3-5-8-6-4-7;1-2/h12-13H,1-10H2;3-6H,1-2H3;1-2H3
InChIKeyLIZLKCKZVUJCBL-UHFFFAOYSA-N
MW358.57 g/mol
LogP6.00
Rot. Bonds3

About N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane

N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane (PubChem CID 143275856) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane
PubChem CID143275856
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC NameN,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CC.CN(C)c1ccncc1
InChIInChI=1S/C13H22N2.C7H10N2.C2H6/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-9(2)7-3-5-8-6-4-7;1-2/h12-13H,1-10H2;3-6H,1-2H3;1-2H3
InChIKeyLIZLKCKZVUJCBL-UHFFFAOYSA-N
XLogP6.00
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;N,N-dimethylpyridin-4-amine;ethane?
The IUPAC name of N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane (CID 143275856) is N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane is C(=NC1CCCCC1)=NC1CCCCC1.CC.CN(C)c1ccncc1.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane?
The InChIKey is LIZLKCKZVUJCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C7H10N2.C2H6/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-9(2)7-3-5-8-6-4-7;1-2/h12-13H,1-10H2;3-6H,1-2H3;1-2H3.
What are the key properties of N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane?
N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane has a molecular weight of 358.57 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;N,N-dimethylpyridin-4-amine;ethane is sourced from PubChem (CID 143275856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).