1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine

C16H32N4O — CID 104887993

IUPAC1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine
SMILESCCC1(CC)CC(N/C(=N/C2CCCCC2)NN)CCO1
InChIInChI=1S/C16H32N4O/c1-3-16(4-2)12-14(10-11-21-16)19-15(20-17)18-13-8-6-5-7-9-13/h13-14H,3-12,17H2,1-2H3,(H2,18,19,20)
InChIKeyMTMNNROYLNXMHB-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.47
Rot. Bonds4

About 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine

1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine (PubChem CID 104887993) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine
PubChem CID104887993
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine
SMILESCCC1(CC)CC(N/C(=N/C2CCCCC2)NN)CCO1
InChIInChI=1S/C16H32N4O/c1-3-16(4-2)12-14(10-11-21-16)19-15(20-17)18-13-8-6-5-7-9-13/h13-14H,3-12,17H2,1-2H3,(H2,18,19,20)
InChIKeyMTMNNROYLNXMHB-UHFFFAOYSA-N
XLogP2.47
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.47
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-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine
CID 104887998
1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
CID 104888437
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine
CID 104886736
N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
CID 115865884
1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
CID 83033815
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
1-amino-3-cyclopentyl-2-(thian-4-yl)guanidine
CID 104888913

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine (CID 104887993) is 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine is CCC1(CC)CC(N/C(=N/C2CCCCC2)NN)CCO1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine?
The InChIKey is MTMNNROYLNXMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-16(4-2)12-14(10-11-21-16)19-15(20-17)18-13-8-6-5-7-9-13/h13-14H,3-12,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine?
1-amino-2-cyclohexyl-3-(2,2-diethyloxan-4-yl)guanidine has a molecular weight of 296.46 g/mol, XLogP of 2.47, 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-(2,2-diethyloxan-4-yl)guanidine is sourced from PubChem (CID 104887993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).