N,N-dicyclohexyl-2-iminoethanimidamide

C14H25N3 — CID 57281707

IUPACN,N-dicyclohexyl-2-iminoethanimidamide
SMILES[H]/N=C/C(=N\[H])N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25N3/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15-16H,1-10H2/b15-11+,16-14+
InChIKeyJWGYMZHLPHKWFB-XQYSVVAESA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds3

About N,N-dicyclohexyl-2-iminoethanimidamide

N,N-dicyclohexyl-2-iminoethanimidamide (PubChem CID 57281707) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-iminoethanimidamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-iminoethanimidamide
PubChem CID57281707
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN,N-dicyclohexyl-2-iminoethanimidamide
SMILES[H]/N=C/C(=N\[H])N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25N3/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15-16H,1-10H2/b15-11+,16-14+
InChIKeyJWGYMZHLPHKWFB-XQYSVVAESA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-iminoethanimidamide?
The IUPAC name of N,N-dicyclohexyl-2-iminoethanimidamide (CID 57281707) is N,N-dicyclohexyl-2-iminoethanimidamide.
What is the SMILES notation for N,N-dicyclohexyl-2-iminoethanimidamide?
The canonical SMILES for N,N-dicyclohexyl-2-iminoethanimidamide is [H]/N=C/C(=N\[H])N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-iminoethanimidamide?
The InChIKey is JWGYMZHLPHKWFB-XQYSVVAESA-N. The full InChI is InChI=1S/C14H25N3/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15-16H,1-10H2/b15-11+,16-14+.
What are the key properties of N,N-dicyclohexyl-2-iminoethanimidamide?
N,N-dicyclohexyl-2-iminoethanimidamide has a molecular weight of 235.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-iminoethanimidamide is sourced from PubChem (CID 57281707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).