N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H26N4O2 — CID 106962281

IUPACN-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC2CC(C)CC(C)C2)o1
InChIInChI=1S/C14H26N4O2/c1-10-6-11(2)8-12(7-10)16-14-18-17-13(20-14)9-15-4-5-19-3/h10-12,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyOEAMVYIXKBPVJB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.04
Rot. Bonds7

About N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962281) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962281
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC2CC(C)CC(C)C2)o1
InChIInChI=1S/C14H26N4O2/c1-10-6-11(2)8-12(7-10)16-14-18-17-13(20-14)9-15-4-5-19-3/h10-12,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyOEAMVYIXKBPVJB-UHFFFAOYSA-N
XLogP2.04
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964977
N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962276
5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine
CID 106964756
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
5-[(2-methoxyethylamino)methyl]-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421557
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964971
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961383
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
5-[(2-methoxyethylamino)methyl]-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106969617
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106962281) is N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NC2CC(C)CC(C)C2)o1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OEAMVYIXKBPVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10-6-11(2)8-12(7-10)16-14-18-17-13(20-14)9-15-4-5-19-3/h10-12,15H,4-9H2,1-3H3,(H,16,18).
What are the key properties of N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).