2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide

C17H29N3O — CID 60922852

IUPAC2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(C)Cc1ccccc1CN
InChIInChI=1S/C17H29N3O/c1-4-5-8-11-19-17(21)14(2)20(3)13-16-10-7-6-9-15(16)12-18/h6-7,9-10,14H,4-5,8,11-13,18H2,1-3H3,(H,19,21)
InChIKeyOAPSJMWEYBHGAD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.27
Rot. Bonds9

About 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide

2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide (PubChem CID 60922852) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide
PubChem CID60922852
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(C)Cc1ccccc1CN
InChIInChI=1S/C17H29N3O/c1-4-5-8-11-19-17(21)14(2)20(3)13-16-10-7-6-9-15(16)12-18/h6-7,9-10,14H,4-5,8,11-13,18H2,1-3H3,(H,19,21)
InChIKeyOAPSJMWEYBHGAD-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-butylpropanamide
CID 60922998
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
CID 43383798
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide
CID 43248778
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
CID 43458642
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088
N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide (CID 60922852) is 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide is CCCCCNC(=O)C(C)N(C)Cc1ccccc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide?
The InChIKey is OAPSJMWEYBHGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-5-8-11-19-17(21)14(2)20(3)13-16-10-7-6-9-15(16)12-18/h6-7,9-10,14H,4-5,8,11-13,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide?
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-pentylpropanamide is sourced from PubChem (CID 60922852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).