2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H27N3O2 — CID 75136125

IUPAC2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNC(=NOCC(=O)NCCC1=CCCCC1)C1CCCC1
InChIInChI=1S/C16H27N3O2/c17-16(14-8-4-5-9-14)19-21-12-15(20)18-11-10-13-6-2-1-3-7-13/h6,14H,1-5,7-12H2,(H2,17,19)(H,18,20)
InChIKeyNSRGLXPVIPKZQA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.47
Rot. Bonds7

About 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 75136125) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID75136125
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNC(=NOCC(=O)NCCC1=CCCCC1)C1CCCC1
InChIInChI=1S/C16H27N3O2/c17-16(14-8-4-5-9-14)19-21-12-15(20)18-11-10-13-6-2-1-3-7-13/h6,14H,1-5,7-12H2,(H2,17,19)(H,18,20)
InChIKeyNSRGLXPVIPKZQA-UHFFFAOYSA-N
XLogP2.47
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-[(2S,3R)-2-tert-butyloxolan-3-yl]methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 99796786
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 55313986
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] oxane-4-carboxylate
CID 55374912
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46295211
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684654
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 75136125) is 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide is NC(=NOCC(=O)NCCC1=CCCCC1)C1CCCC1.
What is the InChIKey of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is NSRGLXPVIPKZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c17-16(14-8-4-5-9-14)19-21-12-15(20)18-11-10-13-6-2-1-3-7-13/h6,14H,1-5,7-12H2,(H2,17,19)(H,18,20).
What are the key properties of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 75136125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).