N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H25IN2 — CID 65477240

IUPACN-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccc(I)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25IN2/c1-2-9-20(12-13-3-5-14(18)6-4-13)17-10-15-7-8-16(11-17)19-15/h3-6,15-17,19H,2,7-12H2,1H3
InChIKeyZNJFKWZHPSXDMR-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.79
Rot. Bonds5

About N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65477240) has the molecular formula C17H25IN2 and a molecular weight of 384.31 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65477240
Molecular FormulaC17H25IN2
Molecular Weight384.31 g/mol
Exact Mass384.11
IUPAC NameN-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccc(I)cc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25IN2/c1-2-9-20(12-13-3-5-14(18)6-4-13)17-10-15-7-8-16(11-17)19-15/h3-6,15-17,19H,2,7-12H2,1H3
InChIKeyZNJFKWZHPSXDMR-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105404880
N-[(3-bromophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231881
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-N-propylbenzamide
CID 61233054
N-(1H-imidazol-5-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63109378
N-[(2,4-dichlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233028
N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105372550
N-[(2,4-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232072

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 65477240) is N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1ccc(I)cc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZNJFKWZHPSXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25IN2/c1-2-9-20(12-13-3-5-14(18)6-4-13)17-10-15-7-8-16(11-17)19-15/h3-6,15-17,19H,2,7-12H2,1H3.
What are the key properties of N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 384.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65477240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).