2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide

C15H25N3O — CID 65229472

IUPAC2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)14(9-16)15(19)17-10-12-5-7-13(8-6-12)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyWDFKLYBVINDZDO-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.60
Rot. Bonds6

About 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide

2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide (PubChem CID 65229472) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
PubChem CID65229472
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)14(9-16)15(19)17-10-12-5-7-13(8-6-12)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyWDFKLYBVINDZDO-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
4-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzoic acid
CID 65227428
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 107218396
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 18137263

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide (CID 65229472) is 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide is CC(C)C(CN)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide?
The InChIKey is WDFKLYBVINDZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)14(9-16)15(19)17-10-12-5-7-13(8-6-12)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide?
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 65229472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).