3-(aminomethyl)-N-(4-iodophenyl)pentanamide

C12H17IN2O — CID 81070652

IUPAC3-(aminomethyl)-N-(4-iodophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H17IN2O/c1-2-9(8-14)7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyRPNBVCJCUVMEAE-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.60
Rot. Bonds5

About 3-(aminomethyl)-N-(4-iodophenyl)pentanamide

3-(aminomethyl)-N-(4-iodophenyl)pentanamide (PubChem CID 81070652) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-iodophenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-iodophenyl)pentanamide
PubChem CID81070652
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name3-(aminomethyl)-N-(4-iodophenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H17IN2O/c1-2-9(8-14)7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyRPNBVCJCUVMEAE-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
CID 81072000

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-iodophenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-iodophenyl)pentanamide (CID 81070652) is 3-(aminomethyl)-N-(4-iodophenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-iodophenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-iodophenyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-iodophenyl)pentanamide?
The InChIKey is RPNBVCJCUVMEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-2-9(8-14)7-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8,14H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(4-iodophenyl)pentanamide?
3-(aminomethyl)-N-(4-iodophenyl)pentanamide has a molecular weight of 332.19 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-iodophenyl)pentanamide is sourced from PubChem (CID 81070652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).