4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide

C12H17N3O — CID 63356653

IUPAC4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide
SMILESCC1(C)CC1Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H17N3O/c1-12(2)6-10(12)15-9-5-7(11(14)16)3-4-8(9)13/h3-5,10,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyBNLXNRSKKHSAEY-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.58
Rot. Bonds3

About 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide

4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide (PubChem CID 63356653) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide
PubChem CID63356653
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide
SMILESCC1(C)CC1Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H17N3O/c1-12(2)6-10(12)15-9-5-7(11(14)16)3-4-8(9)13/h3-5,10,15H,6,13H2,1-2H3,(H2,14,16)
InChIKeyBNLXNRSKKHSAEY-UHFFFAOYSA-N
XLogP1.58
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.58
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

4-amino-3-(cyclopropylamino)benzamide
CID 63355783
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzenesulfonamide
CID 82907020
4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide
CID 63993880
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
CID 79353564
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
5-amino-4-[(2,2-dimethylcyclopropyl)amino]-2-fluorobenzoic acid
CID 113394253
4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
CID 114107376
4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
CID 61223755
methyl 4-amino-3-[(4-methoxy-4-methyloxolan-3-yl)amino]benzoate
CID 166088650
4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
4-amino-3-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 80737585

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide?
The IUPAC name of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide (CID 63356653) is 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide is CC1(C)CC1Nc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide?
The InChIKey is BNLXNRSKKHSAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2)6-10(12)15-9-5-7(11(14)16)3-4-8(9)13/h3-5,10,15H,6,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide?
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide has a molecular weight of 219.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide is sourced from PubChem (CID 63356653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).