1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine

C13H28N4 — CID 104888558

IUPAC1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
SMILESCCCC(C)(C)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H28N4/c1-4-10-13(2,3)16-12(17-14)15-11-8-6-5-7-9-11/h11H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyWIKQICMEFLVUFL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.31
Rot. Bonds4

About 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine

1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine (PubChem CID 104888558) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
PubChem CID104888558
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine
SMILESCCCC(C)(C)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H28N4/c1-4-10-13(2,3)16-12(17-14)15-11-8-6-5-7-9-11/h11H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyWIKQICMEFLVUFL-UHFFFAOYSA-N
XLogP2.31
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.31
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
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
1-cyclohexyl-3-(2-methylpentan-2-yl)thiourea
CID 116510121
2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide
CID 104885512
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
N-amino-N'-cyclopentyl-2-propoxyethanimidamide
CID 107940791
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
N-amino-N'-cycloheptyl-2-methylbutanimidamide
CID 61361542
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine (CID 104888558) is 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine is CCCC(C)(C)N/C(=N/C1CCCCC1)NN.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine?
The InChIKey is WIKQICMEFLVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-4-10-13(2,3)16-12(17-14)15-11-8-6-5-7-9-11/h11H,4-10,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine?
1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(2-methylpentan-2-yl)guanidine is sourced from PubChem (CID 104888558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).