N,3-diethyl-1-(4-iodophenyl)heptan-1-amine

C17H28IN — CID 115805946

IUPACN,3-diethyl-1-(4-iodophenyl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(I)cc1
InChIInChI=1S/C17H28IN/c1-4-7-8-14(5-2)13-17(19-6-3)15-9-11-16(18)12-10-15/h9-12,14,17,19H,4-8,13H2,1-3H3
InChIKeyVORCEHSAQNUHEF-UHFFFAOYSA-N
MW373.32 g/mol
LogP5.55
Rot. Bonds9

About N,3-diethyl-1-(4-iodophenyl)heptan-1-amine

N,3-diethyl-1-(4-iodophenyl)heptan-1-amine (PubChem CID 115805946) has the molecular formula C17H28IN and a molecular weight of 373.32 g/mol. Its IUPAC name is N,3-diethyl-1-(4-iodophenyl)heptan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(4-iodophenyl)heptan-1-amine
PubChem CID115805946
Molecular FormulaC17H28IN
Molecular Weight373.32 g/mol
Exact Mass373.13
IUPAC NameN,3-diethyl-1-(4-iodophenyl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(I)cc1
InChIInChI=1S/C17H28IN/c1-4-7-8-14(5-2)13-17(19-6-3)15-9-11-16(18)12-10-15/h9-12,14,17,19H,4-8,13H2,1-3H3
InChIKeyVORCEHSAQNUHEF-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.32
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine
CID 65195228
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
N,3-diethyl-1-(5-ethylfuran-2-yl)heptan-1-amine
CID 115806207
N-ethyl-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 115834220
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
1-(3-chloro-2-methylphenyl)-N,3-diethylheptan-1-amine
CID 107102078
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(4-iodophenyl)heptan-1-amine?
The IUPAC name of N,3-diethyl-1-(4-iodophenyl)heptan-1-amine (CID 115805946) is N,3-diethyl-1-(4-iodophenyl)heptan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(4-iodophenyl)heptan-1-amine?
The canonical SMILES for N,3-diethyl-1-(4-iodophenyl)heptan-1-amine is CCCCC(CC)CC(NCC)c1ccc(I)cc1.
What is the InChIKey of N,3-diethyl-1-(4-iodophenyl)heptan-1-amine?
The InChIKey is VORCEHSAQNUHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28IN/c1-4-7-8-14(5-2)13-17(19-6-3)15-9-11-16(18)12-10-15/h9-12,14,17,19H,4-8,13H2,1-3H3.
What are the key properties of N,3-diethyl-1-(4-iodophenyl)heptan-1-amine?
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine has a molecular weight of 373.32 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(4-iodophenyl)heptan-1-amine is sourced from PubChem (CID 115805946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).