2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

C15H25IN2 — CID 54953620

IUPAC2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccc(I)cc1
InChIInChI=1S/C15H25IN2/c1-11(2)15(10-18(4)5)17-12(3)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3
InChIKeyJYHSMFNLLXFUAU-UHFFFAOYSA-N
MW360.28 g/mol
LogP3.53
Rot. Bonds6

About 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 54953620) has the molecular formula C15H25IN2 and a molecular weight of 360.28 g/mol. Its IUPAC name is 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID54953620
Molecular FormulaC15H25IN2
Molecular Weight360.28 g/mol
Exact Mass360.11
IUPAC Name2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(NC(CN(C)C)C(C)C)c1ccc(I)cc1
InChIInChI=1S/C15H25IN2/c1-11(2)15(10-18(4)5)17-12(3)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3
InChIKeyJYHSMFNLLXFUAU-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
CID 54953461
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476456
N-[1-(4-iodophenyl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768392
2-N-[1-(4-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476843
2-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476972
N-[1-(4-iodophenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721846
N-[1-(4-iodophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64631396
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476660
2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 63454265

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 54953620) is 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(NC(CN(C)C)C(C)C)c1ccc(I)cc1.
What is the InChIKey of 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is JYHSMFNLLXFUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25IN2/c1-11(2)15(10-18(4)5)17-12(3)13-6-8-14(16)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3.
What are the key properties of 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 360.28 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 54953620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).