5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide

C14H24N4O — CID 136990581

IUPAC5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCCCCN(c1ccc(/C(N)=N/O)nc1)C(C)CC
InChIInChI=1S/C14H24N4O/c1-4-6-9-18(11(3)5-2)12-7-8-13(16-10-12)14(15)17-19/h7-8,10-11,19H,4-6,9H2,1-3H3,(H2,15,17)
InChIKeyUPFOMRKOEWETRQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.58
Rot. Bonds7

About 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide

5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990581) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990581
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCCCCN(c1ccc(/C(N)=N/O)nc1)C(C)CC
InChIInChI=1S/C14H24N4O/c1-4-6-9-18(11(3)5-2)12-7-8-13(16-10-12)14(15)17-19/h7-8,10-11,19H,4-6,9H2,1-3H3,(H2,15,17)
InChIKeyUPFOMRKOEWETRQ-UHFFFAOYSA-N
XLogP2.58
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.58
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-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
5-(N-ethyl-4-methylanilino)-N'-hydroxypyridine-2-carboximidamide
CID 136990608
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
CID 136990637
5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990584
5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
CID 115489592
4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
CID 115488219
4-bromo-2-[butan-2-yl(butyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114903993
2-[butan-2-yl(butyl)amino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76997736

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide (CID 136990581) is 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide is CCCCN(c1ccc(/C(N)=N/O)nc1)C(C)CC.
What is the InChIKey of 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is UPFOMRKOEWETRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-6-9-18(11(3)5-2)12-7-8-13(16-10-12)14(15)17-19/h7-8,10-11,19H,4-6,9H2,1-3H3,(H2,15,17).
What are the key properties of 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide?
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 264.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).