5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

C15H31N3O — CID 77063648

IUPAC5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC1CCC(NCCCC(C)(C)C(N)=NO)C(C)C1
InChIInChI=1S/C15H31N3O/c1-11-6-7-13(12(2)10-11)17-9-5-8-15(3,4)14(16)18-19/h11-13,17,19H,5-10H2,1-4H3,(H2,16,18)
InChIKeyDPDYPBQORNHBCS-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.95
Rot. Bonds6

About 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063648) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063648
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC1CCC(NCCCC(C)(C)C(N)=NO)C(C)C1
InChIInChI=1S/C15H31N3O/c1-11-6-7-13(12(2)10-11)17-9-5-8-15(3,4)14(16)18-19/h11-13,17,19H,5-10H2,1-4H3,(H2,16,18)
InChIKeyDPDYPBQORNHBCS-UHFFFAOYSA-N
XLogP2.95
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-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-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063648) is 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is CC1CCC(NCCCC(C)(C)C(N)=NO)C(C)C1.
What is the InChIKey of 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is DPDYPBQORNHBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11-6-7-13(12(2)10-11)17-9-5-8-15(3,4)14(16)18-19/h11-13,17,19H,5-10H2,1-4H3,(H2,16,18).
What are the key properties of 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 269.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).