3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

C13H27N3O2 — CID 54993984

IUPAC3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-2-11(10-13(14)15-18)16(8-9-17)12-6-4-3-5-7-12/h11-12,17-18H,2-10H2,1H3,(H2,14,15)
InChIKeyKFDVVWGDNXAXPJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.53
Rot. Bonds7

About 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide

3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 54993984) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID54993984
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H27N3O2/c1-2-11(10-13(14)15-18)16(8-9-17)12-6-4-3-5-7-12/h11-12,17-18H,2-10H2,1H3,(H2,14,15)
InChIKeyKFDVVWGDNXAXPJ-UHFFFAOYSA-N
XLogP1.53
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (CID 54993984) is 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(CCO)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is KFDVVWGDNXAXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-11(10-13(14)15-18)16(8-9-17)12-6-4-3-5-7-12/h11-12,17-18H,2-10H2,1H3,(H2,14,15).
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54993984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).