2-[(4-tert-butylcycloheptylidene)amino]guanidine

C12H24N4 — CID 77060035

IUPAC2-[(4-tert-butylcycloheptylidene)amino]guanidine
SMILESCC(C)(C)C1CCCC(=NN=C(N)N)CC1
InChIInChI=1S/C12H24N4/c1-12(2,3)9-5-4-6-10(8-7-9)15-16-11(13)14/h9H,4-8H2,1-3H3,(H4,13,14,16)
InChIKeyJDXDHMYQYIPJGQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.24
Rot. Bonds1

About 2-[(4-tert-butylcycloheptylidene)amino]guanidine

2-[(4-tert-butylcycloheptylidene)amino]guanidine (PubChem CID 77060035) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(4-tert-butylcycloheptylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(4-tert-butylcycloheptylidene)amino]guanidine
PubChem CID77060035
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-[(4-tert-butylcycloheptylidene)amino]guanidine
SMILESCC(C)(C)C1CCCC(=NN=C(N)N)CC1
InChIInChI=1S/C12H24N4/c1-12(2,3)9-5-4-6-10(8-7-9)15-16-11(13)14/h9H,4-8H2,1-3H3,(H4,13,14,16)
InChIKeyJDXDHMYQYIPJGQ-UHFFFAOYSA-N
XLogP2.24
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
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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Related Compounds

2-[(3-ethylcyclohexylidene)amino]guanidine
CID 77024453
2-[[3-(2-methylpropyl)cyclohexylidene]amino]guanidine
CID 107430498
2-[(3,3-dimethylcyclohexylidene)amino]guanidine
CID 77060123
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentadecane
CID 164774831
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
CID 172949223
CID 172949223
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine
CID 65211894
2-[(4-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135519634
4-tert-butylcyclohexan-1-one
CID 7392
N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2875504
2-[(3,3-dimethylcyclopentylidene)amino]guanidine
CID 80699384

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcycloheptylidene)amino]guanidine?
The IUPAC name of 2-[(4-tert-butylcycloheptylidene)amino]guanidine (CID 77060035) is 2-[(4-tert-butylcycloheptylidene)amino]guanidine.
What is the SMILES notation for 2-[(4-tert-butylcycloheptylidene)amino]guanidine?
The canonical SMILES for 2-[(4-tert-butylcycloheptylidene)amino]guanidine is CC(C)(C)C1CCCC(=NN=C(N)N)CC1.
What is the InChIKey of 2-[(4-tert-butylcycloheptylidene)amino]guanidine?
The InChIKey is JDXDHMYQYIPJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-12(2,3)9-5-4-6-10(8-7-9)15-16-11(13)14/h9H,4-8H2,1-3H3,(H4,13,14,16).
What are the key properties of 2-[(4-tert-butylcycloheptylidene)amino]guanidine?
2-[(4-tert-butylcycloheptylidene)amino]guanidine has a molecular weight of 224.35 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcycloheptylidene)amino]guanidine is sourced from PubChem (CID 77060035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).