carbamic acid;N,N'-dicyclohexylmethanediimine

C14H25N3O2 — CID 174934245

IUPACcarbamic acid;N,N'-dicyclohexylmethanediimine
SMILESC(=NC1CCCCC1)=NC1CCCCC1.NC(=O)O
InChIInChI=1S/C13H22N2.CH3NO2/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;2H2,(H,3,4)
InChIKeyNPYILGKPZXNXID-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.45
Rot. Bonds2

About carbamic acid;N,N'-dicyclohexylmethanediimine

carbamic acid;N,N'-dicyclohexylmethanediimine (PubChem CID 174934245) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is carbamic acid;N,N'-dicyclohexylmethanediimine.

Molecular Properties

Compound Namecarbamic acid;N,N'-dicyclohexylmethanediimine
PubChem CID174934245
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namecarbamic acid;N,N'-dicyclohexylmethanediimine
SMILESC(=NC1CCCCC1)=NC1CCCCC1.NC(=O)O
InChIInChI=1S/C13H22N2.CH3NO2/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;2H2,(H,3,4)
InChIKeyNPYILGKPZXNXID-UHFFFAOYSA-N
XLogP3.45
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.45
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 carbamic acid;N,N'-dicyclohexylmethanediimine?
The IUPAC name of carbamic acid;N,N'-dicyclohexylmethanediimine (CID 174934245) is carbamic acid;N,N'-dicyclohexylmethanediimine.
What is the SMILES notation for carbamic acid;N,N'-dicyclohexylmethanediimine?
The canonical SMILES for carbamic acid;N,N'-dicyclohexylmethanediimine is C(=NC1CCCCC1)=NC1CCCCC1.NC(=O)O.
What is the InChIKey of carbamic acid;N,N'-dicyclohexylmethanediimine?
The InChIKey is NPYILGKPZXNXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.CH3NO2/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;2H2,(H,3,4).
What are the key properties of carbamic acid;N,N'-dicyclohexylmethanediimine?
carbamic acid;N,N'-dicyclohexylmethanediimine has a molecular weight of 267.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;N,N'-dicyclohexylmethanediimine is sourced from PubChem (CID 174934245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).