N'-amino-4-tert-butylcyclohexane-1-carboximidamide

C11H23N3 — CID 76948329

IUPACN'-amino-4-tert-butylcyclohexane-1-carboximidamide
SMILESCC(C)(C)C1CCC(C(N)=NN)CC1
InChIInChI=1S/C11H23N3/c1-11(2,3)9-6-4-8(5-7-9)10(12)14-13/h8-9H,4-7,13H2,1-3H3,(H2,12,14)
InChIKeyASZJTXFXHJKEOK-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.07
Rot. Bonds1

About N'-amino-4-tert-butylcyclohexane-1-carboximidamide

N'-amino-4-tert-butylcyclohexane-1-carboximidamide (PubChem CID 76948329) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-amino-4-tert-butylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-tert-butylcyclohexane-1-carboximidamide
PubChem CID76948329
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-amino-4-tert-butylcyclohexane-1-carboximidamide
SMILESCC(C)(C)C1CCC(C(N)=NN)CC1
InChIInChI=1S/C11H23N3/c1-11(2,3)9-6-4-8(5-7-9)10(12)14-13/h8-9H,4-7,13H2,1-3H3,(H2,12,14)
InChIKeyASZJTXFXHJKEOK-UHFFFAOYSA-N
XLogP2.07
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-tert-butylcyclohexane-1-carboximidamide?
The IUPAC name of N'-amino-4-tert-butylcyclohexane-1-carboximidamide (CID 76948329) is N'-amino-4-tert-butylcyclohexane-1-carboximidamide.
What is the SMILES notation for N'-amino-4-tert-butylcyclohexane-1-carboximidamide?
The canonical SMILES for N'-amino-4-tert-butylcyclohexane-1-carboximidamide is CC(C)(C)C1CCC(C(N)=NN)CC1.
What is the InChIKey of N'-amino-4-tert-butylcyclohexane-1-carboximidamide?
The InChIKey is ASZJTXFXHJKEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,3)9-6-4-8(5-7-9)10(12)14-13/h8-9H,4-7,13H2,1-3H3,(H2,12,14).
What are the key properties of N'-amino-4-tert-butylcyclohexane-1-carboximidamide?
N'-amino-4-tert-butylcyclohexane-1-carboximidamide has a molecular weight of 197.33 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-tert-butylcyclohexane-1-carboximidamide is sourced from PubChem (CID 76948329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).