N-cyclohexyl-N-methylethanimidamide

C9H18N2 — CID 53432262

IUPACN-cyclohexyl-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C1CCCCC1
InChIInChI=1S/C9H18N2/c1-8(10)11(2)9-6-4-3-5-7-9/h9-10H,3-7H2,1-2H3/b10-8+
InChIKeyJUPYQVXSMQSJIH-CSKARUKUSA-N
MW154.26 g/mol
LogP2.25
Rot. Bonds1

About N-cyclohexyl-N-methylethanimidamide

N-cyclohexyl-N-methylethanimidamide (PubChem CID 53432262) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-cyclohexyl-N-methylethanimidamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methylethanimidamide
PubChem CID53432262
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-cyclohexyl-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C1CCCCC1
InChIInChI=1S/C9H18N2/c1-8(10)11(2)9-6-4-3-5-7-9/h9-10H,3-7H2,1-2H3/b10-8+
InChIKeyJUPYQVXSMQSJIH-CSKARUKUSA-N
XLogP2.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclohexyl-N-methylethanimidamide?
The IUPAC name of N-cyclohexyl-N-methylethanimidamide (CID 53432262) is N-cyclohexyl-N-methylethanimidamide.
What is the SMILES notation for N-cyclohexyl-N-methylethanimidamide?
The canonical SMILES for N-cyclohexyl-N-methylethanimidamide is [H]/N=C(\C)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylethanimidamide?
The InChIKey is JUPYQVXSMQSJIH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(10)11(2)9-6-4-3-5-7-9/h9-10H,3-7H2,1-2H3/b10-8+.
What are the key properties of N-cyclohexyl-N-methylethanimidamide?
N-cyclohexyl-N-methylethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylethanimidamide is sourced from PubChem (CID 53432262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).