2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide

C13H27N3O — CID 77044952

IUPAC2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide
SMILESCCCCCCN(CC(N)=NO)C1CCCC1
InChIInChI=1S/C13H27N3O/c1-2-3-4-7-10-16(11-13(14)15-17)12-8-5-6-9-12/h12,17H,2-11H2,1H3,(H2,14,15)
InChIKeyAXDJSSQHYCSZMZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.56
Rot. Bonds8

About 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77044952) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide
PubChem CID77044952
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide
SMILESCCCCCCN(CC(N)=NO)C1CCCC1
InChIInChI=1S/C13H27N3O/c1-2-3-4-7-10-16(11-13(14)15-17)12-8-5-6-9-12/h12,17H,2-11H2,1H3,(H2,14,15)
InChIKeyAXDJSSQHYCSZMZ-UHFFFAOYSA-N
XLogP2.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.56
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
CID 104647778
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide
CID 72653227
5-[cyclopropyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 109374552
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide (CID 77044952) is 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide is CCCCCCN(CC(N)=NO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is AXDJSSQHYCSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-3-4-7-10-16(11-13(14)15-17)12-8-5-6-9-12/h12,17H,2-11H2,1H3,(H2,14,15).
What are the key properties of 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).