N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine

C16H24IN — CID 105027846

IUPACN-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)C1CCCCCC1
InChIInChI=1S/C16H24IN/c1-2-18-16(13-8-5-3-4-6-9-13)14-10-7-11-15(17)12-14/h7,10-13,16,18H,2-6,8-9H2,1H3
InChIKeyDQLOKBAXTNMYBC-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.91
Rot. Bonds4

About N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine

N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine (PubChem CID 105027846) has the molecular formula C16H24IN and a molecular weight of 357.28 g/mol. Its IUPAC name is N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
PubChem CID105027846
Molecular FormulaC16H24IN
Molecular Weight357.28 g/mol
Exact Mass357.10
IUPAC NameN-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(I)c1)C1CCCCCC1
InChIInChI=1S/C16H24IN/c1-2-18-16(13-8-5-3-4-6-9-13)14-10-7-11-15(17)12-14/h7,10-13,16,18H,2-6,8-9H2,1H3
InChIKeyDQLOKBAXTNMYBC-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.91
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-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[(3-chloro-4-iodophenyl)-cycloheptylmethyl]ethanamine
CID 103216098
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine (CID 105027846) is N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine is CCNC(c1cccc(I)c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine?
The InChIKey is DQLOKBAXTNMYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN/c1-2-18-16(13-8-5-3-4-6-9-13)14-10-7-11-15(17)12-14/h7,10-13,16,18H,2-6,8-9H2,1H3.
What are the key properties of N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine?
N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine has a molecular weight of 357.28 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 105027846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).