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

C12H25N3O2 — CID 54994032

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCO)C1CCCC1
InChIInChI=1S/C12H25N3O2/c1-2-10(9-12(13)14-17)15(7-8-16)11-5-3-4-6-11/h10-11,16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyMQFJUZYANJCOJV-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.14
Rot. Bonds7

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

3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 54994032) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID54994032
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(CCO)C1CCCC1
InChIInChI=1S/C12H25N3O2/c1-2-10(9-12(13)14-17)15(7-8-16)11-5-3-4-6-11/h10-11,16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyMQFJUZYANJCOJV-UHFFFAOYSA-N
XLogP1.14
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.14
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-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (CID 54994032) is 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(CCO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is MQFJUZYANJCOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-10(9-12(13)14-17)15(7-8-16)11-5-3-4-6-11/h10-11,16-17H,2-9H2,1H3,(H2,13,14).
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54994032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).