2-amino-5-[cycloheptyl(methyl)amino]benzamide

C15H23N3O — CID 61305211

IUPAC2-amino-5-[cycloheptyl(methyl)amino]benzamide
SMILESCN(c1ccc(N)c(C(N)=O)c1)C1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(11-6-4-2-3-5-7-11)12-8-9-14(16)13(10-12)15(17)19/h8-11H,2-7,16H2,1H3,(H2,17,19)
InChIKeyCSVJPOGOCUEOLJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-5-[cycloheptyl(methyl)amino]benzamide

2-amino-5-[cycloheptyl(methyl)amino]benzamide (PubChem CID 61305211) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-5-[cycloheptyl(methyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[cycloheptyl(methyl)amino]benzamide
PubChem CID61305211
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-5-[cycloheptyl(methyl)amino]benzamide
SMILESCN(c1ccc(N)c(C(N)=O)c1)C1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(11-6-4-2-3-5-7-11)12-8-9-14(16)13(10-12)15(17)19/h8-11H,2-7,16H2,1H3,(H2,17,19)
InChIKeyCSVJPOGOCUEOLJ-UHFFFAOYSA-N
XLogP2.53
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
ethyl 2-amino-5-[cyclohexyl(methyl)amino]benzoate
CID 61305640
2-amino-5-[methyl(oxolan-3-yl)amino]benzamide
CID 82749581
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
2-amino-5-[methyl(pentan-3-yl)amino]benzamide
CID 55134579
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
CID 82749051
4-[cycloheptyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81277092
3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
5-amino-6-[cyclopentyl(methyl)amino]pyridine-2-carboxamide
CID 114405392
3-amino-4-[cyclohexyl(methyl)amino]benzoic acid
CID 54888169
2-amino-5-cyclohexylsulfanylbenzamide
CID 55136321

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[cycloheptyl(methyl)amino]benzamide?
The IUPAC name of 2-amino-5-[cycloheptyl(methyl)amino]benzamide (CID 61305211) is 2-amino-5-[cycloheptyl(methyl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[cycloheptyl(methyl)amino]benzamide?
The canonical SMILES for 2-amino-5-[cycloheptyl(methyl)amino]benzamide is CN(c1ccc(N)c(C(N)=O)c1)C1CCCCCC1.
What is the InChIKey of 2-amino-5-[cycloheptyl(methyl)amino]benzamide?
The InChIKey is CSVJPOGOCUEOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(11-6-4-2-3-5-7-11)12-8-9-14(16)13(10-12)15(17)19/h8-11H,2-7,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-5-[cycloheptyl(methyl)amino]benzamide?
2-amino-5-[cycloheptyl(methyl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[cycloheptyl(methyl)amino]benzamide is sourced from PubChem (CID 61305211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).