5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide

C14H22N4O — CID 136990584

IUPAC5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCC(C)CCN(c1ccc(/C(N)=N/O)nc1)C1CC1
InChIInChI=1S/C14H22N4O/c1-10(2)7-8-18(11-3-4-11)12-5-6-13(16-9-12)14(15)17-19/h5-6,9-11,19H,3-4,7-8H2,1-2H3,(H2,15,17)
InChIKeyUWUDCTLPROJKQW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.19
Rot. Bonds6

About 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide

5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990584) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990584
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCC(C)CCN(c1ccc(/C(N)=N/O)nc1)C1CC1
InChIInChI=1S/C14H22N4O/c1-10(2)7-8-18(11-3-4-11)12-5-6-13(16-9-12)14(15)17-19/h5-6,9-11,19H,3-4,7-8H2,1-2H3,(H2,15,17)
InChIKeyUWUDCTLPROJKQW-UHFFFAOYSA-N
XLogP2.19
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.19
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

5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136865121
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990709
(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
CID 103938891
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(3-methylbutyl)pyridin-3-amine
CID 115939457
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
2-[cyclopropyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107547067
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
CID 136990608

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide (CID 136990584) is 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide is CC(C)CCN(c1ccc(/C(N)=N/O)nc1)C1CC1.
What is the InChIKey of 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is UWUDCTLPROJKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)7-8-18(11-3-4-11)12-5-6-13(16-9-12)14(15)17-19/h5-6,9-11,19H,3-4,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide?
5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).