2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide

C14H23N3O2 — CID 54999381

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)N(CCOC)c1ccccc1/C(N)=N/O
InChIInChI=1S/C14H23N3O2/c1-4-11(2)17(9-10-19-3)13-8-6-5-7-12(13)14(15)16-18/h5-8,11,18H,4,9-10H2,1-3H3,(H2,15,16)
InChIKeyYJMFCJRPDXBXMN-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.03
Rot. Bonds7

About 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide

2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 54999381) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID54999381
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)N(CCOC)c1ccccc1/C(N)=N/O
InChIInChI=1S/C14H23N3O2/c1-4-11(2)17(9-10-19-3)13-8-6-5-7-12(13)14(15)16-18/h5-8,11,18H,4,9-10H2,1-3H3,(H2,15,16)
InChIKeyYJMFCJRPDXBXMN-UHFFFAOYSA-N
XLogP2.03
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.03
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

2-[butan-2-yl(2-methoxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519526
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55005297
4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76984278
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 76912160
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
CID 115994582
2-[butan-2-yl(butyl)amino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76997736
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 54999381) is 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide is CCC(C)N(CCOC)c1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YJMFCJRPDXBXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11(2)17(9-10-19-3)13-8-6-5-7-12(13)14(15)16-18/h5-8,11,18H,4,9-10H2,1-3H3,(H2,15,16).
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 54999381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).