1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine

C11H22N4 — CID 104883140

IUPAC1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
SMILESCC1CCC(/N=C(\NN)NC2CC2)CC1
InChIInChI=1S/C11H22N4/c1-8-2-4-9(5-3-8)13-11(15-12)14-10-6-7-10/h8-10H,2-7,12H2,1H3,(H2,13,14,15)
InChIKeyXAWKXTIMGSSNDM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds2

About 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine

1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine (PubChem CID 104883140) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
PubChem CID104883140
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
SMILESCC1CCC(/N=C(\NN)NC2CC2)CC1
InChIInChI=1S/C11H22N4/c1-8-2-4-9(5-3-8)13-11(15-12)14-10-6-7-10/h8-10H,2-7,12H2,1H3,(H2,13,14,15)
InChIKeyXAWKXTIMGSSNDM-UHFFFAOYSA-N
XLogP1.14
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
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

1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine
CID 104886736
1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine
CID 130820208
1-amino-3-cyclopentyl-2-(thian-4-yl)guanidine
CID 104888913
1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine
CID 104886579
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956
1-amino-2-cyclopropyl-3-(dimethylamino)guanidine
CID 104887916
1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
CID 104888437
1-amino-2-cyclopentyl-3-(1-methylpiperidin-3-yl)guanidine
CID 104884363
1-hydroxy-2-(4-methylcyclohexyl)guanidine
CID 62481066
1-amino-2-cyclopentyl-3-(thian-3-yl)guanidine
CID 104889048

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine (CID 104883140) is 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine is CC1CCC(/N=C(\NN)NC2CC2)CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine?
The InChIKey is XAWKXTIMGSSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8-2-4-9(5-3-8)13-11(15-12)14-10-6-7-10/h8-10H,2-7,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine?
1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine has a molecular weight of 210.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine is sourced from PubChem (CID 104883140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).