5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H31N3O — CID 106011988

IUPAC5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCCCC1CCCC1)C(N)=NO
InChIInChI=1S/C15H31N3O/c1-15(2,14(16)18-19)10-6-12-17-11-5-9-13-7-3-4-8-13/h13,17,19H,3-12H2,1-2H3,(H2,16,18)
InChIKeyVNTNAGJXZPOVGG-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.10
Rot. Bonds9

About 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 106011988) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID106011988
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCCCC1CCCC1)C(N)=NO
InChIInChI=1S/C15H31N3O/c1-15(2,14(16)18-19)10-6-12-17-11-5-9-13-7-3-4-8-13/h13,17,19H,3-12H2,1-2H3,(H2,16,18)
InChIKeyVNTNAGJXZPOVGG-UHFFFAOYSA-N
XLogP3.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.10
H-Bond Donors ≤ 53
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

4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
N'-hydroxy-2,2-dimethyl-6-[2-(4-methylcyclohexyl)ethylamino]hexanimidamide
CID 106711176
N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
N'-hydroxy-2,2-dimethyl-5-(thian-2-ylmethylamino)pentanimidamide
CID 80600323
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062104

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 106011988) is 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCNCCCC1CCCC1)C(N)=NO.
What is the InChIKey of 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is VNTNAGJXZPOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,14(16)18-19)10-6-12-17-11-5-9-13-7-3-4-8-13/h13,17,19H,3-12H2,1-2H3,(H2,16,18).
What are the key properties of 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 269.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 106011988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).