4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

C15H25IN2 — CID 113291375

IUPAC4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C15H25IN2/c1-4-10-17-15(9-11-18(2)3)12-13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyMXUYUXWFIYFHBX-UHFFFAOYSA-N
MW360.28 g/mol
LogP3.15
Rot. Bonds8

About 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 113291375) has the molecular formula C15H25IN2 and a molecular weight of 360.28 g/mol. Its IUPAC name is 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
PubChem CID113291375
Molecular FormulaC15H25IN2
Molecular Weight360.28 g/mol
Exact Mass360.11
IUPAC Name4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C15H25IN2/c1-4-10-17-15(9-11-18(2)3)12-13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3
InChIKeyMXUYUXWFIYFHBX-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-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

4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
1-(4-iodophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105151870
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 82922479
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65478586
1-(4-iodophenyl)-N-propylhexan-3-amine
CID 65479065
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
CID 65476823
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (CID 113291375) is 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(C)C)Cc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is MXUYUXWFIYFHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25IN2/c1-4-10-17-15(9-11-18(2)3)12-13-5-7-14(16)8-6-13/h5-8,15,17H,4,9-12H2,1-3H3.
What are the key properties of 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 360.28 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 113291375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).