1-cyclohexyl-2-ethylguanidine

C9H19N3 — CID 18727697

IUPAC1-cyclohexyl-2-ethylguanidine
SMILESCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C9H19N3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyAUBBQUSOBSQYQR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds2

About 1-cyclohexyl-2-ethylguanidine

1-cyclohexyl-2-ethylguanidine (PubChem CID 18727697) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-cyclohexyl-2-ethylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-ethylguanidine
PubChem CID18727697
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-cyclohexyl-2-ethylguanidine
SMILESCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C9H19N3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,10,11,12)
InChIKeyAUBBQUSOBSQYQR-UHFFFAOYSA-N
XLogP1.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
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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Related Compounds

2-ethyl-1-(oxan-4-yl)guanidine
CID 62361758
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-(1,1-dioxothian-3-yl)-2-ethylguanidine
CID 63922578
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
1-cyclohexyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110921200
2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
CID 112689629

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-ethylguanidine?
The IUPAC name of 1-cyclohexyl-2-ethylguanidine (CID 18727697) is 1-cyclohexyl-2-ethylguanidine.
What is the SMILES notation for 1-cyclohexyl-2-ethylguanidine?
The canonical SMILES for 1-cyclohexyl-2-ethylguanidine is CC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-ethylguanidine?
The InChIKey is AUBBQUSOBSQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 1-cyclohexyl-2-ethylguanidine?
1-cyclohexyl-2-ethylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-ethylguanidine is sourced from PubChem (CID 18727697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).