2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine

C19H28IN — CID 65478287

IUPAC2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2ccc(I)cc2)CCCCC1C1CCCCC1
InChIInChI=1S/C19H28IN/c20-17-11-9-15(10-12-17)14-19(21)13-5-4-8-18(19)16-6-2-1-3-7-16/h9-12,16,18H,1-8,13-14,21H2
InChIKeyOJWIXTBPUYDXQL-UHFFFAOYSA-N
MW397.34 g/mol
LogP5.30
Rot. Bonds3

About 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine

2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine (PubChem CID 65478287) has the molecular formula C19H28IN and a molecular weight of 397.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine
PubChem CID65478287
Molecular FormulaC19H28IN
Molecular Weight397.34 g/mol
Exact Mass397.13
IUPAC Name2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2ccc(I)cc2)CCCCC1C1CCCCC1
InChIInChI=1S/C19H28IN/c20-17-11-9-15(10-12-17)14-19(21)13-5-4-8-18(19)16-6-2-1-3-7-16/h9-12,16,18H,1-8,13-14,21H2
InChIKeyOJWIXTBPUYDXQL-UHFFFAOYSA-N
XLogP5.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.34
LogP ≤ 55.30
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 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine (CID 65478287) is 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine is NC1(Cc2ccc(I)cc2)CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine?
The InChIKey is OJWIXTBPUYDXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28IN/c20-17-11-9-15(10-12-17)14-19(21)13-5-4-8-18(19)16-6-2-1-3-7-16/h9-12,16,18H,1-8,13-14,21H2.
What are the key properties of 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine?
2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine has a molecular weight of 397.34 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(4-iodophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65478287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).