2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide

C14H22N2O — CID 113270071

IUPAC2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCC(C)(CN)C(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-14(3,10-15)13(17)16(4)12-8-6-7-11(2)9-12/h6-9H,5,10,15H2,1-4H3
InChIKeyRWOMTMBZTVDZQB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds4

About 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide

2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide (PubChem CID 113270071) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
PubChem CID113270071
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
SMILESCCC(C)(CN)C(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-14(3,10-15)13(17)16(4)12-8-6-7-11(2)9-12/h6-9H,5,10,15H2,1-4H3
InChIKeyRWOMTMBZTVDZQB-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
(2R)-2-amino-N-methyl-N-(3-methylphenyl)pentanamide
CID 103794882
N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide
CID 62003887
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
diethyl 2-[2-(N,3-dimethylanilino)-2-oxoethylidene]propanedioate
CID 11438562
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide (CID 113270071) is 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide is CCC(C)(CN)C(=O)N(C)c1cccc(C)c1.
What is the InChIKey of 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide?
The InChIKey is RWOMTMBZTVDZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-14(3,10-15)13(17)16(4)12-8-6-7-11(2)9-12/h6-9H,5,10,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide?
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 113270071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).