2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide

C15H27N3O2 — CID 79905989

IUPAC2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)C1CCOC2(CCC2)C1)=NO
InChIInChI=1S/C15H27N3O2/c16-14(17-19)11-18(12-4-1-2-5-12)13-6-9-20-15(10-13)7-3-8-15/h12-13,19H,1-11H2,(H2,16,17)
InChIKeyURNRCNKGVJLMDU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.08
Rot. Bonds4

About 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 79905989) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
PubChem CID79905989
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)C1CCOC2(CCC2)C1)=NO
InChIInChI=1S/C15H27N3O2/c16-14(17-19)11-18(12-4-1-2-5-12)13-6-9-20-15(10-13)7-3-8-15/h12-13,19H,1-11H2,(H2,16,17)
InChIKeyURNRCNKGVJLMDU-UHFFFAOYSA-N
XLogP2.08
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
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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Related Compounds

2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
2-[cyclopentyl(oxolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 77038077
2-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]ethanethioamide
CID 79901099
3-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]-N'-hydroxypropanimidamide
CID 79902210
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79906210
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 104940294
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide (CID 79905989) is 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide is NC(CN(C1CCCC1)C1CCOC2(CCC2)C1)=NO.
What is the InChIKey of 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is URNRCNKGVJLMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-14(17-19)11-18(12-4-1-2-5-12)13-6-9-20-15(10-13)7-3-8-15/h12-13,19H,1-11H2,(H2,16,17).
What are the key properties of 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 281.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 79905989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).