(4-iodo-2-methylcyclopentyl)methanamine

C7H14IN — CID 89197571

IUPAC(4-iodo-2-methylcyclopentyl)methanamine
SMILESCC1CC(I)CC1CN
InChIInChI=1S/C7H14IN/c1-5-2-7(8)3-6(5)4-9/h5-7H,2-4,9H2,1H3
InChIKeyCCSLISILQBQQNM-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.79
Rot. Bonds1

About (4-iodo-2-methylcyclopentyl)methanamine

(4-iodo-2-methylcyclopentyl)methanamine (PubChem CID 89197571) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is (4-iodo-2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-iodo-2-methylcyclopentyl)methanamine
PubChem CID89197571
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Name(4-iodo-2-methylcyclopentyl)methanamine
SMILESCC1CC(I)CC1CN
InChIInChI=1S/C7H14IN/c1-5-2-7(8)3-6(5)4-9/h5-7H,2-4,9H2,1H3
InChIKeyCCSLISILQBQQNM-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-iodo-2-methylcyclopentyl)methanamine?
The IUPAC name of (4-iodo-2-methylcyclopentyl)methanamine (CID 89197571) is (4-iodo-2-methylcyclopentyl)methanamine.
What is the SMILES notation for (4-iodo-2-methylcyclopentyl)methanamine?
The canonical SMILES for (4-iodo-2-methylcyclopentyl)methanamine is CC1CC(I)CC1CN.
What is the InChIKey of (4-iodo-2-methylcyclopentyl)methanamine?
The InChIKey is CCSLISILQBQQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN/c1-5-2-7(8)3-6(5)4-9/h5-7H,2-4,9H2,1H3.
What are the key properties of (4-iodo-2-methylcyclopentyl)methanamine?
(4-iodo-2-methylcyclopentyl)methanamine has a molecular weight of 239.10 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2-methylcyclopentyl)methanamine is sourced from PubChem (CID 89197571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).