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

C11H24N4O — CID 104882763

IUPAC1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C11H24N4O/c1-9(8-16-2)13-11(15-12)14-10-6-4-3-5-7-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyDCTURAHPRAIUQY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.76
Rot. Bonds4

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

1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 104882763) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine
PubChem CID104882763
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/C1CCCCC1)NN
InChIInChI=1S/C11H24N4O/c1-9(8-16-2)13-11(15-12)14-10-6-4-3-5-7-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyDCTURAHPRAIUQY-UHFFFAOYSA-N
XLogP0.76
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.76
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-[2-[(4,4-Difluorocyclohexyl)amino]-2-methoxyethyl]-2-methyl-3-(methylamino)guanidine
CID 132207765
1-Amino-3-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886396
1-Amino-3-(1-methoxypropan-2-yl)-2-(4,4,4-trifluorobutyl)guanidine
CID 113531338
1-Amino-3-(1-methoxypropan-2-yl)-2-(5,5,5-trifluoropentyl)guanidine
CID 113531342
1-Amino-3-(2-methoxyethyl)-2-(5,5,5-trifluoropentyl)guanidine
CID 113531343
1-Amino-3-cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 114128969
2-[4-(2-Methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine
CID 126558491
2-Cyclohexyl-1-(1-methoxypropan-2-yl)guanidine
CID 62363855
1-Amino-3-cyclohexyl-2-(2-methoxypropyl)guanidine
CID 102702158
1-Amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
CID 102702163
1-Amino-3-cyclopentyl-2-(2-methoxypropyl)guanidine
CID 102702164
1-Amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine
CID 102702167

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine (CID 104882763) is 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(=N/C1CCCCC1)NN.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is DCTURAHPRAIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(8-16-2)13-11(15-12)14-10-6-4-3-5-7-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 228.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104882763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).