N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine

C11H17IN2 — CID 103220678

IUPACN'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(I)cc1
InChIInChI=1S/C11H17IN2/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3
InChIKeyDRSRZNONVVNXPE-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.99
Rot. Bonds6

About N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine

N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine (PubChem CID 103220678) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine
PubChem CID103220678
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC NameN'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(I)cc1
InChIInChI=1S/C11H17IN2/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3
InChIKeyDRSRZNONVVNXPE-UHFFFAOYSA-N
XLogP1.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine 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-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
CID 71765356
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201878
5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine
CID 107319983
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
4-[[3-(methylamino)propylamino]methyl]benzoic acid;dihydrochloride
CID 17159605
2-[4-[[3-(methylamino)propylamino]methyl]phenoxy]acetic acid
CID 102535651
N'-[(4-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902
N'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941
N,N'-bis[3-[(4-ethylphenyl)methylamino]propyl]octane-1,8-diamine;tetrahydrochloride
CID 14791320
N-[(4-iodophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467379

Frequently Asked Questions

What is the IUPAC name of N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine (CID 103220678) is N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1ccc(I)cc1.
What is the InChIKey of N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine?
The InChIKey is DRSRZNONVVNXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine?
N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine has a molecular weight of 304.18 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 103220678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).