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

C17H29N3O — CID 43294538

IUPACN-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
SMILESCCCCCN(C)CCCC(=O)Nc1ccccc1CN
InChIInChI=1S/C17H29N3O/c1-3-4-7-12-20(2)13-8-11-17(21)19-16-10-6-5-9-15(16)14-18/h5-6,9-10H,3-4,7-8,11-14,18H2,1-2H3,(H,19,21)
InChIKeyRHPHVXAHOJJJEN-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.99
Rot. Bonds10

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

N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide (PubChem CID 43294538) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
PubChem CID43294538
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
SMILESCCCCCN(C)CCCC(=O)Nc1ccccc1CN
InChIInChI=1S/C17H29N3O/c1-3-4-7-12-20(2)13-8-11-17(21)19-16-10-6-5-9-15(16)14-18/h5-6,9-10H,3-4,7-8,11-14,18H2,1-2H3,(H,19,21)
InChIKeyRHPHVXAHOJJJEN-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.99
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

N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270948
N-[2-(aminomethyl)phenyl]-3-pentylsulfinylpropanamide
CID 107766804
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61421437
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide (CID 43294538) is N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide is CCCCCN(C)CCCC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide?
The InChIKey is RHPHVXAHOJJJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-4-7-12-20(2)13-8-11-17(21)19-16-10-6-5-9-15(16)14-18/h5-6,9-10H,3-4,7-8,11-14,18H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide?
N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide has a molecular weight of 291.44 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide is sourced from PubChem (CID 43294538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).