2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide

C16H26N2O — CID 115186987

IUPAC2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26N2O/c1-5-13(9-17)16(19)18-10-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13H,5,9-10,17H2,1-4H3,(H,18,19)
InChIKeyKPIDASMQLCLHES-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide

2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide (PubChem CID 115186987) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
PubChem CID115186987
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26N2O/c1-5-13(9-17)16(19)18-10-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13H,5,9-10,17H2,1-4H3,(H,18,19)
InChIKeyKPIDASMQLCLHES-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
CID 115186970
3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115154989
2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide
CID 115186984
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115187036
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668706
2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187033
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide (CID 115186987) is 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide is CCC(CN)C(=O)NCc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
The InChIKey is KPIDASMQLCLHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(9-17)16(19)18-10-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13H,5,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide?
2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide is sourced from PubChem (CID 115186987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).