N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide

C10H22N4O — CID 76928849

IUPACN'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide
SMILESCN(CCCN1CCCC1)CC(N)=NO
InChIInChI=1S/C10H22N4O/c1-13(9-10(11)12-15)5-4-8-14-6-2-3-7-14/h15H,2-9H2,1H3,(H2,11,12)
InChIKeySYTZHMATOPSEKJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.15
Rot. Bonds6

About N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide (PubChem CID 76928849) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide
PubChem CID76928849
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide
SMILESCN(CCCN1CCCC1)CC(N)=NO
InChIInChI=1S/C10H22N4O/c1-13(9-10(11)12-15)5-4-8-14-6-2-3-7-14/h15H,2-9H2,1H3,(H2,11,12)
InChIKeySYTZHMATOPSEKJ-UHFFFAOYSA-N
XLogP0.15
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[methyl(2-morpholin-4-ylethyl)amino]ethanimidamide
CID 76929225
N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54998200
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide
CID 76988192
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
CID 76979517

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide (CID 76928849) is N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide is CN(CCCN1CCCC1)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide?
The InChIKey is SYTZHMATOPSEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-13(9-10(11)12-15)5-4-8-14-6-2-3-7-14/h15H,2-9H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide has a molecular weight of 214.31 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(3-pyrrolidin-1-ylpropyl)amino]ethanimidamide is sourced from PubChem (CID 76928849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).