2-amino-5-[(4-methylcycloheptyl)amino]benzamide

C15H23N3O — CID 114101707

IUPAC2-amino-5-[(4-methylcycloheptyl)amino]benzamide
SMILESCC1CCCC(Nc2ccc(N)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H23N3O/c1-10-3-2-4-11(6-5-10)18-12-7-8-14(16)13(9-12)15(17)19/h7-11,18H,2-6,16H2,1H3,(H2,17,19)
InChIKeyWSPRMZMUULNEPA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds3

About 2-amino-5-[(4-methylcycloheptyl)amino]benzamide

2-amino-5-[(4-methylcycloheptyl)amino]benzamide (PubChem CID 114101707) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-5-[(4-methylcycloheptyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(4-methylcycloheptyl)amino]benzamide
PubChem CID114101707
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-5-[(4-methylcycloheptyl)amino]benzamide
SMILESCC1CCCC(Nc2ccc(N)c(C(N)=O)c2)CC1
InChIInChI=1S/C15H23N3O/c1-10-3-2-4-11(6-5-10)18-12-7-8-14(16)13(9-12)15(17)19/h7-11,18H,2-6,16H2,1H3,(H2,17,19)
InChIKeyWSPRMZMUULNEPA-UHFFFAOYSA-N
XLogP2.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
CID 65079977
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747
methyl 2-amino-5-(cyclopropylamino)benzoate
CID 61311715
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide
CID 83023670
2-amino-5-(oxolan-3-ylamino)benzamide
CID 80713796
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methylcycloheptyl)amino]benzamide?
The IUPAC name of 2-amino-5-[(4-methylcycloheptyl)amino]benzamide (CID 114101707) is 2-amino-5-[(4-methylcycloheptyl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[(4-methylcycloheptyl)amino]benzamide?
The canonical SMILES for 2-amino-5-[(4-methylcycloheptyl)amino]benzamide is CC1CCCC(Nc2ccc(N)c(C(N)=O)c2)CC1.
What is the InChIKey of 2-amino-5-[(4-methylcycloheptyl)amino]benzamide?
The InChIKey is WSPRMZMUULNEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-3-2-4-11(6-5-10)18-12-7-8-14(16)13(9-12)15(17)19/h7-11,18H,2-6,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-5-[(4-methylcycloheptyl)amino]benzamide?
2-amino-5-[(4-methylcycloheptyl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methylcycloheptyl)amino]benzamide is sourced from PubChem (CID 114101707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).