1-amino-3-cyclohexyl-2-methylguanidine

C8H18N4 — CID 91089056

IUPAC1-amino-3-cyclohexyl-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C8H18N4/c1-10-8(12-9)11-7-5-3-2-4-6-7/h7H,2-6,9H2,1H3,(H2,10,11,12)
InChIKeyBHSIGERFBLPMQN-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.36
Rot. Bonds1

About 1-amino-3-cyclohexyl-2-methylguanidine

1-amino-3-cyclohexyl-2-methylguanidine (PubChem CID 91089056) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-methylguanidine
PubChem CID91089056
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-amino-3-cyclohexyl-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCCC1
InChIInChI=1S/C8H18N4/c1-10-8(12-9)11-7-5-3-2-4-6-7/h7H,2-6,9H2,1H3,(H2,10,11,12)
InChIKeyBHSIGERFBLPMQN-UHFFFAOYSA-N
XLogP0.36
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.36
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-cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 104883043
1-Amino-3-cyclohexyl-2-(2,2-difluoroethyl)guanidine
CID 104887788
1-Amino-3-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888053
1-Amino-3-cyclohexyl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888074
1-Amino-3-propan-2-yl-2-(5,5,5-trifluoropentyl)guanidine
CID 104888077
1-Amino-2-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937749
1-Amino-3-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296451
1-Amino-3-cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
CID 113530777
1-Amino-3-cyclopentyl-2-(2-fluoroethyl)guanidine
CID 130505162
1-Amino-3-(4,4-difluorocyclohexyl)-2-methylguanidine
CID 131052493
1-Amino-3-(2,2-difluorocyclohexyl)-2-methylguanidine
CID 131097772
1-Amino-2,3-dicyclohexylguanidine
CID 9816156

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-methylguanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-methylguanidine (CID 91089056) is 1-amino-3-cyclohexyl-2-methylguanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-methylguanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-methylguanidine is C/N=C(\NN)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-methylguanidine?
The InChIKey is BHSIGERFBLPMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-10-8(12-9)11-7-5-3-2-4-6-7/h7H,2-6,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-amino-3-cyclohexyl-2-methylguanidine?
1-amino-3-cyclohexyl-2-methylguanidine has a molecular weight of 170.26 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-methylguanidine is sourced from PubChem (CID 91089056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).