4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide

C16H24N2O — CID 79353421

IUPAC4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
SMILESCC1(C)C(CNCc2ccc(C(N)=O)cc2)C1(C)C
InChIInChI=1S/C16H24N2O/c1-15(2)13(16(15,3)4)10-18-9-11-5-7-12(8-6-11)14(17)19/h5-8,13,18H,9-10H2,1-4H3,(H2,17,19)
InChIKeyTUFOQYNKFFISOM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.56
Rot. Bonds5

About 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide

4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide (PubChem CID 79353421) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
PubChem CID79353421
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
SMILESCC1(C)C(CNCc2ccc(C(N)=O)cc2)C1(C)C
InChIInChI=1S/C16H24N2O/c1-15(2)13(16(15,3)4)10-18-9-11-5-7-12(8-6-11)14(17)19/h5-8,13,18H,9-10H2,1-4H3,(H2,17,19)
InChIKeyTUFOQYNKFFISOM-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 79352344
3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79357949
4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
CID 61223755
4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
CID 61013401
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
2-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzoic acid
CID 106700205
4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
CID 120962997
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
CID 79353564

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
The IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide (CID 79353421) is 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide is CC1(C)C(CNCc2ccc(C(N)=O)cc2)C1(C)C.
What is the InChIKey of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
The InChIKey is TUFOQYNKFFISOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2)13(16(15,3)4)10-18-9-11-5-7-12(8-6-11)14(17)19/h5-8,13,18H,9-10H2,1-4H3,(H2,17,19).
What are the key properties of 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide?
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide is sourced from PubChem (CID 79353421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).