1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine

C9H19N5 — CID 67218109

IUPAC1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C1CCCCC1
InChIInChI=1S/C9H19N5/c1-14(9(12)13-8(10)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyLOUMQVPYXACPRY-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.46
Rot. Bonds1

About 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine

1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine (PubChem CID 67218109) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine
PubChem CID67218109
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C1CCCCC1
InChIInChI=1S/C9H19N5/c1-14(9(12)13-8(10)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyLOUMQVPYXACPRY-UHFFFAOYSA-N
XLogP0.46
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine?
The IUPAC name of 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine (CID 67218109) is 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine.
What is the SMILES notation for 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine?
The canonical SMILES for 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine is [H]/N=C(\N=C(N)N)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine?
The InChIKey is LOUMQVPYXACPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-14(9(12)13-8(10)11)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H5,10,11,12,13).
What are the key properties of 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine?
1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine has a molecular weight of 197.29 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(diaminomethylidene)-1-methylguanidine is sourced from PubChem (CID 67218109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).