N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide

C12H23N3 — CID 83148479

IUPACN-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide
SMILESCC(/C(=N/C1CCCCC1)NN)C1CC1
InChIInChI=1S/C12H23N3/c1-9(10-7-8-10)12(15-13)14-11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3,(H,14,15)
InChIKeyZIGSZAXXQBEPPV-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.23
Rot. Bonds3

About N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide

N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide (PubChem CID 83148479) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide
PubChem CID83148479
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide
SMILESCC(/C(=N/C1CCCCC1)NN)C1CC1
InChIInChI=1S/C12H23N3/c1-9(10-7-8-10)12(15-13)14-11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3,(H,14,15)
InChIKeyZIGSZAXXQBEPPV-UHFFFAOYSA-N
XLogP2.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.23
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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Related Compounds

N-amino-N'-cycloheptyl-2-methylbutanimidamide
CID 61361542
N-amino-N'-cyclopentyl-2-methylbutanimidamide
CID 61361320
N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
CID 83148345
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
N-amino-2-(3-chlorophenoxy)-N'-cyclohexylpropanimidamide
CID 62227615
N-amino-N'-cycloheptylcycloheptanecarboximidamide
CID 55194306
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
CID 61361536
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 104885486
N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide
CID 106828795
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide?
The IUPAC name of N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide (CID 83148479) is N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide is CC(/C(=N/C1CCCCC1)NN)C1CC1.
What is the InChIKey of N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide?
The InChIKey is ZIGSZAXXQBEPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(10-7-8-10)12(15-13)14-11-5-3-2-4-6-11/h9-11H,2-8,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide?
N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide has a molecular weight of 209.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide is sourced from PubChem (CID 83148479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).