N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide

C13H25N3 — CID 106828795

IUPACN-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide
SMILESCC1(/C(=N/C2CCCC2)NN)CCCCC1
InChIInChI=1S/C13H25N3/c1-13(9-5-2-6-10-13)12(16-14)15-11-7-3-4-8-11/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeyHNHUJPBGUICHAM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.76
Rot. Bonds2

About N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide

N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide (PubChem CID 106828795) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide
PubChem CID106828795
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide
SMILESCC1(/C(=N/C2CCCC2)NN)CCCCC1
InChIInChI=1S/C13H25N3/c1-13(9-5-2-6-10-13)12(16-14)15-11-7-3-4-8-11/h11H,2-10,14H2,1H3,(H,15,16)
InChIKeyHNHUJPBGUICHAM-UHFFFAOYSA-N
XLogP2.76
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.76
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'-cyclopropyl-1-methylcyclohexane-1-carboximidamide
CID 106828793
N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide
CID 81451294
N-amino-N'-cyclopropyl-2-methylthiolane-2-carboximidamide
CID 81451113
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide
CID 164661146
2-cyclopentyl-1-(1-methylcyclopentyl)guanidine
CID 62369070
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
N-amino-N',1-dimethylcyclopropane-1-carboximidamide
CID 130553676
N-amino-N'-cycloheptylcycloheptanecarboximidamide
CID 55194306
1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
CID 104888437
N-amino-N'-cyclopentyl-4,4-dimethylazepane-1-carboximidamide
CID 104886543

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide (CID 106828795) is N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide is CC1(/C(=N/C2CCCC2)NN)CCCCC1.
What is the InChIKey of N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide?
The InChIKey is HNHUJPBGUICHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(9-5-2-6-10-13)12(16-14)15-11-7-3-4-8-11/h11H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide?
N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide has a molecular weight of 223.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-1-methylcyclohexane-1-carboximidamide is sourced from PubChem (CID 106828795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).