2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide

C14H23N3O — CID 107105633

IUPAC2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide
SMILESCc1cccc(CN)c1N(C)CC(=O)NC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)16-13(18)9-17(4)14-11(3)6-5-7-12(14)8-15/h5-7,10H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyKUDRDHFUXMCCKJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide

2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide (PubChem CID 107105633) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide
PubChem CID107105633
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide
SMILESCc1cccc(CN)c1N(C)CC(=O)NC(C)C
InChIInChI=1S/C14H23N3O/c1-10(2)16-13(18)9-17(4)14-11(3)6-5-7-12(14)8-15/h5-7,10H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyKUDRDHFUXMCCKJ-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carbamothioyl-N,6-dimethylanilino)-N-propan-2-ylacetamide
CID 107108094
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
CID 114041230
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
2-(N-acetyl-2-ethyl-6-methylanilino)-N-propan-2-ylacetamide
CID 113169400
2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
CID 107105810
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 62624662
2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
CID 102913711
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8912935
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide (CID 107105633) is 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide is Cc1cccc(CN)c1N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide?
The InChIKey is KUDRDHFUXMCCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)16-13(18)9-17(4)14-11(3)6-5-7-12(14)8-15/h5-7,10H,8-9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide?
2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 107105633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).