4-tert-butylcyclohexane-1-carboximidamide

C11H22N2 — CID 20592811

IUPAC4-tert-butylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H3,12,13)
InChIKeyAEMXQJFRFAAWJM-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.77
Rot. Bonds1

About 4-tert-butylcyclohexane-1-carboximidamide

4-tert-butylcyclohexane-1-carboximidamide (PubChem CID 20592811) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-tert-butylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butylcyclohexane-1-carboximidamide
PubChem CID20592811
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-tert-butylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H3,12,13)
InChIKeyAEMXQJFRFAAWJM-UHFFFAOYSA-N
XLogP2.77
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
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 4-tert-butylcyclohexane-1-carboximidamide?
The IUPAC name of 4-tert-butylcyclohexane-1-carboximidamide (CID 20592811) is 4-tert-butylcyclohexane-1-carboximidamide.
What is the SMILES notation for 4-tert-butylcyclohexane-1-carboximidamide?
The canonical SMILES for 4-tert-butylcyclohexane-1-carboximidamide is [H]/N=C(\N)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butylcyclohexane-1-carboximidamide?
The InChIKey is AEMXQJFRFAAWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H3,12,13).
What are the key properties of 4-tert-butylcyclohexane-1-carboximidamide?
4-tert-butylcyclohexane-1-carboximidamide has a molecular weight of 182.31 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexane-1-carboximidamide is sourced from PubChem (CID 20592811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).