N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide

C9H19N3O — CID 107413577

IUPACN'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
SMILESCC1CCC(CNCC(N)=NO)C1
InChIInChI=1S/C9H19N3O/c1-7-2-3-8(4-7)5-11-6-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyPQRKUSMTRLQEED-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.76
Rot. Bonds4

About N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide

N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide (PubChem CID 107413577) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
PubChem CID107413577
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide
SMILESCC1CCC(CNCC(N)=NO)C1
InChIInChI=1S/C9H19N3O/c1-7-2-3-8(4-7)5-11-6-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyPQRKUSMTRLQEED-UHFFFAOYSA-N
XLogP0.76
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
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

N'-hydroxy-2-[(4-hydroxycyclohexyl)methylamino]ethanimidamide
CID 106136396
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602
(3-methylcyclopentyl)methylurea
CID 20542807
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
N-[(3-methylcyclopentyl)methyl]hydroxylamine
CID 58861173
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107414834
2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412907
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
CID 77026751
N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
CID 107412308
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414832
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide (CID 107413577) is N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide is CC1CCC(CNCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide?
The InChIKey is PQRKUSMTRLQEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-2-3-8(4-7)5-11-6-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide?
N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-methylcyclopentyl)methylamino]ethanimidamide is sourced from PubChem (CID 107413577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).