4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide

C17H21N3O — CID 77047547

IUPAC4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(c1ccccc1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C17H21N3O/c1-2-3-13-20(15-7-5-4-6-8-15)16-11-9-14(10-12-16)17(18)19-21/h4-12,21H,2-3,13H2,1H3,(H2,18,19)
InChIKeyPZMGWAJLHBZQFS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.72
Rot. Bonds6

About 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide

4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide (PubChem CID 77047547) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
PubChem CID77047547
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
SMILESCCCCN(c1ccccc1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C17H21N3O/c1-2-3-13-20(15-7-5-4-6-8-15)16-11-9-14(10-12-16)17(18)19-21/h4-12,21H,2-3,13H2,1H3,(H2,18,19)
InChIKeyPZMGWAJLHBZQFS-UHFFFAOYSA-N
XLogP3.72
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.72
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

N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
CID 43333185
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
CID 78996712
butane;N-octyl-N-phenylaniline
CID 175431375
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
CID 67184223
6-(N-butylanilino)pyridine-3-carboximidamide
CID 64584617
N'-hydroxybenzenecarboximidamide
CID 142861747
1-N-butyl-4-methyl-1-N-phenylbenzene-1,3-diamine
CID 64584977
4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979355
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598

Frequently Asked Questions

What is the IUPAC name of 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide (CID 77047547) is 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide is CCCCN(c1ccccc1)c1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is PZMGWAJLHBZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-3-13-20(15-7-5-4-6-8-15)16-11-9-14(10-12-16)17(18)19-21/h4-12,21H,2-3,13H2,1H3,(H2,18,19).
What are the key properties of 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide?
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 283.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77047547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).