2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide

C17H28N2O — CID 107471089

IUPAC2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CN(C)C(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13-6-8-14(9-7-13)12-19(5)16(20)15(11-18)10-17(2,3)4/h6-9,15H,10-12,18H2,1-5H3
InChIKeyIMDAFYQSSBRYDA-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.96
Rot. Bonds5

About 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide

2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide (PubChem CID 107471089) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
PubChem CID107471089
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
SMILESCc1ccc(CN(C)C(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13-6-8-14(9-7-13)12-19(5)16(20)15(11-18)10-17(2,3)4/h6-9,15H,10-12,18H2,1-5H3
InChIKeyIMDAFYQSSBRYDA-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide
CID 107471648
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
CID 107471201
2-bromo-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 43211718
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186008
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
CID 65264833
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
CID 107471232
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 107471215
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide (CID 107471089) is 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide is Cc1ccc(CN(C)C(=O)C(CN)CC(C)(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide?
The InChIKey is IMDAFYQSSBRYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-6-8-14(9-7-13)12-19(5)16(20)15(11-18)10-17(2,3)4/h6-9,15H,10-12,18H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide?
2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 107471089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).