5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

C15H30N4O — CID 77063998

IUPAC5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCC1CCN(C2CC2)C1)C(N)=NO
InChIInChI=1S/C15H30N4O/c1-15(2,14(16)18-20)7-3-8-17-10-12-6-9-19(11-12)13-4-5-13/h12-13,17,20H,3-11H2,1-2H3,(H2,16,18)
InChIKeyZRTPXBKFWWPETL-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.61
Rot. Bonds8

About 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063998) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063998
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCC1CCN(C2CC2)C1)C(N)=NO
InChIInChI=1S/C15H30N4O/c1-15(2,14(16)18-20)7-3-8-17-10-12-6-9-19(11-12)13-4-5-13/h12-13,17,20H,3-11H2,1-2H3,(H2,16,18)
InChIKeyZRTPXBKFWWPETL-UHFFFAOYSA-N
XLogP1.61
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-2,2-dimethyl-5-[(4-methylcyclohexyl)methylamino]pentanimidamide
CID 77063607
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-6-[(3-hydroxycyclopentyl)methylamino]-2,2-dimethylhexanimidamide
CID 106136295
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxyethanimidamide
CID 77026751
N'-hydroxy-2,2-dimethyl-5-[2-(4-methylcyclohexyl)ethylamino]pentanimidamide
CID 77063815
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997
N'-hydroxy-2,2-dimethyl-5-(thian-2-ylmethylamino)pentanimidamide
CID 80600323
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
5-[(1,3-dimethylpiperidin-4-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104931144

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063998) is 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCNCC1CCN(C2CC2)C1)C(N)=NO.
What is the InChIKey of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is ZRTPXBKFWWPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-15(2,14(16)18-20)7-3-8-17-10-12-6-9-19(11-12)13-4-5-13/h12-13,17,20H,3-11H2,1-2H3,(H2,16,18).
What are the key properties of 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 282.43 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).