1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine

C13H28N4O — CID 104886807

IUPAC1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine
SMILESCCC1CCCC(/N=C(\NN)NC(C)COC)C1
InChIInChI=1S/C13H28N4O/c1-4-11-6-5-7-12(8-11)16-13(17-14)15-10(2)9-18-3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17)
InChIKeyDZDLJOWALKAQPZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.40
Rot. Bonds5

About 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine

1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 104886807) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine
PubChem CID104886807
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine
SMILESCCC1CCCC(/N=C(\NN)NC(C)COC)C1
InChIInChI=1S/C13H28N4O/c1-4-11-6-5-7-12(8-11)16-13(17-14)15-10(2)9-18-3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17)
InChIKeyDZDLJOWALKAQPZ-UHFFFAOYSA-N
XLogP1.40
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine
CID 104884067
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649
1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
CID 104886508
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104886695
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
1-amino-3-(3-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 104886815
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine
CID 104889027
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine (CID 104886807) is 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine is CCC1CCCC(/N=C(\NN)NC(C)COC)C1.
What is the InChIKey of 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is DZDLJOWALKAQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-11-6-5-7-12(8-11)16-13(17-14)15-10(2)9-18-3/h10-12H,4-9,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 256.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104886807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).