5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide

C14H28N2O2 — CID 65258172

IUPAC5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC1CCCC(OC)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,13(15)16)8-5-9-18-12-7-4-6-11(10-12)17-3/h11-12H,4-10H2,1-3H3,(H3,15,16)
InChIKeyDGGIYQCPNRLTHM-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.70
Rot. Bonds7

About 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide

5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide (PubChem CID 65258172) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
PubChem CID65258172
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOC1CCCC(OC)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,13(15)16)8-5-9-18-12-7-4-6-11(10-12)17-3/h11-12H,4-10H2,1-3H3,(H3,15,16)
InChIKeyDGGIYQCPNRLTHM-UHFFFAOYSA-N
XLogP2.70
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide (CID 65258172) is 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCOC1CCCC(OC)C1.
What is the InChIKey of 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
The InChIKey is DGGIYQCPNRLTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,13(15)16)8-5-9-18-12-7-4-6-11(10-12)17-3/h11-12H,4-10H2,1-3H3,(H3,15,16).
What are the key properties of 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide?
5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).