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

C13H25N3O — CID 77044633

IUPAC2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CC1CCCC1)C1CCCC1)=NO
InChIInChI=1S/C13H25N3O/c14-13(15-17)10-16(12-7-3-4-8-12)9-11-5-1-2-6-11/h11-12,17H,1-10H2,(H2,14,15)
InChIKeyCLCMNLQMNHRQCR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.17
Rot. Bonds5

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

2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77044633) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
PubChem CID77044633
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CC1CCCC1)C1CCCC1)=NO
InChIInChI=1S/C13H25N3O/c14-13(15-17)10-16(12-7-3-4-8-12)9-11-5-1-2-6-11/h11-12,17H,1-10H2,(H2,14,15)
InChIKeyCLCMNLQMNHRQCR-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.17
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
CID 77067845
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide
CID 79172237
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 77067847
2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide
CID 77044952
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
2-[cyclopentyl(4-methoxybutyl)amino]-N'-hydroxyethanimidamide
CID 104647778
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 76912585
2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070568
3-[cyclobutylmethyl(cyclopropyl)amino]propanimidamide
CID 65457588
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide (CID 77044633) is 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide is NC(CN(CC1CCCC1)C1CCCC1)=NO.
What is the InChIKey of 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is CLCMNLQMNHRQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(15-17)10-16(12-7-3-4-8-12)9-11-5-1-2-6-11/h11-12,17H,1-10H2,(H2,14,15).
What are the key properties of 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).