N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide

C14H29N3O — CID 77031441

IUPACN'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide
SMILESCCCC1CCC(NCCCCC(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-2-5-12-7-9-13(10-8-12)16-11-4-3-6-14(15)17-18/h12-13,16,18H,2-11H2,1H3,(H2,15,17)
InChIKeyQOAVMSQSMUYPMA-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.85
Rot. Bonds8

About N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide

N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide (PubChem CID 77031441) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide
PubChem CID77031441
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide
SMILESCCCC1CCC(NCCCCC(N)=NO)CC1
InChIInChI=1S/C14H29N3O/c1-2-5-12-7-9-13(10-8-12)16-11-4-3-6-14(15)17-18/h12-13,16,18H,2-11H2,1H3,(H2,15,17)
InChIKeyQOAVMSQSMUYPMA-UHFFFAOYSA-N
XLogP2.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.85
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide (CID 77031441) is N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide is CCCC1CCC(NCCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide?
The InChIKey is QOAVMSQSMUYPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-5-12-7-9-13(10-8-12)16-11-4-3-6-14(15)17-18/h12-13,16,18H,2-11H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide?
N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide is sourced from PubChem (CID 77031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).