1-[(3-ethylcyclohexylidene)amino]guanidine

C9H18N4 — CID 176542192

IUPAC1-[(3-ethylcyclohexylidene)amino]guanidine
SMILES[H]/N=C(\N)NN=C1CCCC(CC)C1
InChIInChI=1S/C9H18N4/c1-2-7-4-3-5-8(6-7)12-13-9(10)11/h7H,2-6H2,1H3,(H4,10,11,13)
InChIKeyPZCHGEFSJGNQDV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.43
Rot. Bonds2

About 1-[(3-ethylcyclohexylidene)amino]guanidine

1-[(3-ethylcyclohexylidene)amino]guanidine (PubChem CID 176542192) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexylidene)amino]guanidine.

Molecular Properties

Compound Name1-[(3-ethylcyclohexylidene)amino]guanidine
PubChem CID176542192
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-[(3-ethylcyclohexylidene)amino]guanidine
SMILES[H]/N=C(\N)NN=C1CCCC(CC)C1
InChIInChI=1S/C9H18N4/c1-2-7-4-3-5-8(6-7)12-13-9(10)11/h7H,2-6H2,1H3,(H4,10,11,13)
InChIKeyPZCHGEFSJGNQDV-UHFFFAOYSA-N
XLogP1.43
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexylidene)amino]guanidine?
The IUPAC name of 1-[(3-ethylcyclohexylidene)amino]guanidine (CID 176542192) is 1-[(3-ethylcyclohexylidene)amino]guanidine.
What is the SMILES notation for 1-[(3-ethylcyclohexylidene)amino]guanidine?
The canonical SMILES for 1-[(3-ethylcyclohexylidene)amino]guanidine is [H]/N=C(\N)NN=C1CCCC(CC)C1.
What is the InChIKey of 1-[(3-ethylcyclohexylidene)amino]guanidine?
The InChIKey is PZCHGEFSJGNQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-2-7-4-3-5-8(6-7)12-13-9(10)11/h7H,2-6H2,1H3,(H4,10,11,13).
What are the key properties of 1-[(3-ethylcyclohexylidene)amino]guanidine?
1-[(3-ethylcyclohexylidene)amino]guanidine has a molecular weight of 182.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexylidene)amino]guanidine is sourced from PubChem (CID 176542192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).