N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H28IN — CID 43784375

IUPACN-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C18H28IN/c1-12(2)17-10-5-13(3)11-18(17)20-14(4)15-6-8-16(19)9-7-15/h6-9,12-14,17-18,20H,5,10-11H2,1-4H3
InChIKeyRIIWKLZYYUSCRP-UHFFFAOYSA-N
MW385.33 g/mol
LogP5.40
Rot. Bonds4

About N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43784375) has the molecular formula C18H28IN and a molecular weight of 385.33 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID43784375
Molecular FormulaC18H28IN
Molecular Weight385.33 g/mol
Exact Mass385.13
IUPAC NameN-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)c2ccc(I)cc2)C1
InChIInChI=1S/C18H28IN/c1-12(2)17-10-5-13(3)11-18(17)20-14(4)15-6-8-16(19)9-7-15/h6-9,12-14,17-18,20H,5,10-11H2,1-4H3
InChIKeyRIIWKLZYYUSCRP-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 43784375) is N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NC(C)c2ccc(I)cc2)C1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is RIIWKLZYYUSCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28IN/c1-12(2)17-10-5-13(3)11-18(17)20-14(4)15-6-8-16(19)9-7-15/h6-9,12-14,17-18,20H,5,10-11H2,1-4H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 385.33 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43784375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).