5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide

C14H22N4O — CID 105420168

IUPAC5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide
SMILESCN(C)C1(CNc2ccc(N)cc2C(N)=O)CCC1
InChIInChI=1S/C14H22N4O/c1-18(2)14(6-3-7-14)9-17-12-5-4-10(15)8-11(12)13(16)19/h4-5,8,17H,3,6-7,9,15H2,1-2H3,(H2,16,19)
InChIKeyXBRKLJYJENJUCC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.26
Rot. Bonds5

About 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide

5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide (PubChem CID 105420168) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide
PubChem CID105420168
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide
SMILESCN(C)C1(CNc2ccc(N)cc2C(N)=O)CCC1
InChIInChI=1S/C14H22N4O/c1-18(2)14(6-3-7-14)9-17-12-5-4-10(15)8-11(12)13(16)19/h4-5,8,17H,3,6-7,9,15H2,1-2H3,(H2,16,19)
InChIKeyXBRKLJYJENJUCC-UHFFFAOYSA-N
XLogP1.26
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
CID 105413811
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-5-nitrobenzamide
CID 133271563
4-chloro-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzenecarbothioamide
CID 105418100
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
CID 105420369
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
5-amino-2-[(1,1-dioxothiolan-2-yl)methylamino]benzamide
CID 81040216
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenecarbothioamide
CID 83121698
2-amino-5-[[1-(dimethylamino)cyclopentyl]methylamino]-4-fluorobenzoic acid
CID 83112062
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104765046

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide?
The IUPAC name of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide (CID 105420168) is 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide.
What is the SMILES notation for 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide?
The canonical SMILES for 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide is CN(C)C1(CNc2ccc(N)cc2C(N)=O)CCC1.
What is the InChIKey of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide?
The InChIKey is XBRKLJYJENJUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(2)14(6-3-7-14)9-17-12-5-4-10(15)8-11(12)13(16)19/h4-5,8,17H,3,6-7,9,15H2,1-2H3,(H2,16,19).
What are the key properties of 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide?
5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide is sourced from PubChem (CID 105420168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).