4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

C14H21N3O — CID 107398948

IUPAC4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCC1)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O/c1-2-17(10-11-4-3-5-11)13-8-6-12(7-9-13)14(15)16-18/h6-9,11,18H,2-5,10H2,1H3,(H2,15,16)
InChIKeyMXZDLCPVJOXGMD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds5

About 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 107398948) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID107398948
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCC1)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O/c1-2-17(10-11-4-3-5-11)13-8-6-12(7-9-13)14(15)16-18/h6-9,11,18H,2-5,10H2,1H3,(H2,15,16)
InChIKeyMXZDLCPVJOXGMD-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398830
3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398942
6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 76996434
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77003917
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
4-[[cyclohexylmethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904274
N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951558
N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608
2-chloro-4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398803
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
CID 107399942

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 107398948) is 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(CC1CCC1)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is MXZDLCPVJOXGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17(10-11-4-3-5-11)13-8-6-12(7-9-13)14(15)16-18/h6-9,11,18H,2-5,10H2,1H3,(H2,15,16).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107398948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).