N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide

C14H22N2O — CID 114212815

IUPACN-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O/c1-14(2,3)9-8-13(17)16-12-7-5-4-6-11(12)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyGSHHNZBUVNGZPK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide

N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide (PubChem CID 114212815) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
PubChem CID114212815
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O/c1-14(2,3)9-8-13(17)16-12-7-5-4-6-11(12)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyGSHHNZBUVNGZPK-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
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CID 79380817
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
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N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
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N-[2-(aminomethyl)phenyl]carbamoyl chloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide (CID 114212815) is N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide?
The InChIKey is GSHHNZBUVNGZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)9-8-13(17)16-12-7-5-4-6-11(12)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide?
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 114212815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).