N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine

C15H22IN — CID 65083964

IUPACN-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccc(I)cc2)CC1
InChIInChI=1S/C15H22IN/c1-15(2)10-3-4-13(9-11-15)17-14-7-5-12(16)6-8-14/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyMWACOYNCBGAOEB-UHFFFAOYSA-N
MW343.25 g/mol
LogP5.06
Rot. Bonds2

About N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine

N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083964) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65083964
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC NameN-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccc(I)cc2)CC1
InChIInChI=1S/C15H22IN/c1-15(2)10-3-4-13(9-11-15)17-14-7-5-12(16)6-8-14/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyMWACOYNCBGAOEB-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.25
LogP ≤ 55.06
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-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine (CID 65083964) is N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(Nc2ccc(I)cc2)CC1.
What is the InChIKey of N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is MWACOYNCBGAOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-15(2)10-3-4-13(9-11-15)17-14-7-5-12(16)6-8-14/h5-8,13,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine?
N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 343.25 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).