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

C14H23N3O — CID 65229471

IUPAC2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
SMILESCCC(CN)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-4-12(9-15)14(18)16-10-11-5-7-13(8-6-11)17(2)3/h5-8,12H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyDXHAHBJOZJVBMJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.35
Rot. Bonds6

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

2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide (PubChem CID 65229471) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
PubChem CID65229471
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
SMILESCCC(CN)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-4-12(9-15)14(18)16-10-11-5-7-13(8-6-11)17(2)3/h5-8,12H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyDXHAHBJOZJVBMJ-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.35
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-(aminomethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186990
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 65229472
2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 65229370
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
CID 65229122
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
CID 107472909
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethylbutanamide
CID 115432359
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide (CID 65229471) is 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide is CCC(CN)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
The InChIKey is DXHAHBJOZJVBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-12(9-15)14(18)16-10-11-5-7-13(8-6-11)17(2)3/h5-8,12H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide?
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.35, 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]butanamide is sourced from PubChem (CID 65229471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).